 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer04_STD_LCPBE_augccpVDZ.in
 Output=26_junionone_conformer04_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-98326.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     98335.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=26_junionone_conformer04_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=030000000
 0,3/108=0300000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=300000000,108=300000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "26_junionone_conformer04_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.563436000000     -0.729672000000      1.520857000000
  C                                                 2.064169000000     -0.295175000000      0.147987000000
  C                                                 0.913913000000      0.297997000000     -0.759656000000
  C                                                -0.457172000000     -0.234905000000     -0.607701000000
  C                                                -1.526747000000      0.432256000000     -0.171814000000
  C                                                -2.854030000000     -0.220333000000     -0.046417000000
  O                                                -3.035071000000     -1.392293000000     -0.312062000000
  C                                                 2.915069000000     -1.378214000000     -0.489725000000
  C                                                 2.663856000000      1.139073000000      0.184553000000
  C                                                 1.305201000000      1.711207000000     -0.281468000000
  C                                                -3.981142000000      0.663387000000      0.438466000000
  H                                                 3.441327000000      1.268677000000     -0.569534000000
  H                                                 3.047149000000      1.480572000000      1.146370000000
  H                                                 1.223447000000      0.160284000000     -1.801272000000
  H                                                 0.696371000000      2.043708000000      0.558807000000
  H                                                 1.320400000000      2.500522000000     -1.031469000000
  H                                                 0.975282000000     -1.647267000000      1.457061000000
  H                                                 0.935555000000      0.032688000000      1.984412000000
  H                                                 2.410704000000     -0.916728000000      2.184750000000
  H                                                 3.285809000000     -1.064848000000     -1.467813000000
  H                                                 2.342708000000     -2.299836000000     -0.624139000000
  H                                                 3.778609000000     -1.614247000000      0.137775000000
  H                                                -0.605465000000     -1.280098000000     -0.869451000000
  H                                                -1.457335000000      1.479231000000      0.100875000000
  H                                                -4.108725000000      1.513428000000     -0.237285000000
  H                                                -3.738662000000      1.073953000000      1.422477000000
  H                                                -4.905923000000      0.094576000000      0.494443000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524563   0.000000
     3  C    2.584323   1.580746   0.000000
     4  C    2.976308   2.632842   1.478834   0.000000
     5  C    3.710046   3.677786   2.514042   1.333826   0.000000
     6  C    4.714847   4.922609   3.869725   2.461743   1.484344
     7  O    4.994489   5.236178   4.318784   2.841217   2.371432
     8  C    2.507979   1.517788   2.624342   3.562735   4.807140
     9  C    2.547320   1.555001   2.158990   3.500900   4.264709
    10  C    3.045152   2.187700   1.542379   2.645702   3.109288
    11  C    5.818464   6.127724   5.052778   3.784146   2.539669
    12  H    3.448131   2.203868   2.714072   4.178578   5.053666
    13  H    2.688275   2.261923   3.095499   4.277837   4.874126
    14  H    3.456032   2.171144   1.095326   2.098873   3.208219
    15  H    3.060879   2.740441   2.198449   2.807753   2.841274
    16  H    4.124026   3.124137   2.256154   3.289666   3.622565
    17  H    1.091776   2.174282   2.949856   2.882695   3.638379
    18  H    1.091014   2.180303   2.756949   2.954716   3.297256
    19  H    1.092523   2.157503   3.519299   4.060465   4.782956
    20  H    3.465698   2.166936   2.825725   3.929186   5.204001
    21  H    2.770142   2.166201   2.967921   3.479014   4.758320
    22  H    2.757241   2.163183   3.559290   4.516654   5.694807
    23  H    3.274244   3.021953   2.193387   1.087627   2.065820
    24  H    4.002582   3.943568   2.785434   2.107289   1.084128
    25  H    6.347911   6.443920   5.193942   4.065429   2.799970
    26  H    5.601338   6.096859   5.197140   4.074667   2.801090
    27  H    6.601933   6.989572   5.956898   4.595070   3.460745
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215250   0.000000
     8  C    5.900823   5.952808   0.000000
     9  C    5.687565   6.255574   2.618109   0.000000
    10  C    4.591873   5.335786   3.489924   1.546110   0.000000
    11  C    1.512103   2.384148   7.251717   6.666839   5.437063
    12  H    6.490171   7.006482   2.699879   1.090828   2.200420
    13  H    6.256176   6.882861   3.296500   1.090242   2.264133
    14  H    4.455357   4.771081   2.636042   2.641270   2.172982
    15  H    4.254119   5.146666   4.210889   2.197596   1.089630
    16  H    5.079296   5.885719   4.228599   2.266523   1.088922
    17  H    4.354333   4.390642   2.761365   3.497749   3.796140
    18  H    4.306883   4.803148   3.468497   2.729580   2.843990
    19  H    5.760251   6.009717   2.760466   2.879443   3.769670
    20  H    6.358553   6.434012   1.091926   2.823899   3.610638
    21  H    5.627094   5.462740   1.093184   3.547283   4.157200
    22  H    6.780031   6.832119   1.093238   2.970797   4.165592
    23  H    2.618498   2.495247   3.542313   4.201401   3.597815
    24  H    2.204761   3.302335   5.256588   4.136052   2.798500
    25  H    2.148632   3.098635   7.599934   6.796024   5.417718
    26  H    2.148348   3.096132   7.344506   6.521421   5.361910
    27  H    2.145218   2.522165   8.019078   7.647781   6.464797
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.515017   0.000000
    13  H    7.110963   1.773303   0.000000
    14  H    5.688346   2.768520   3.709130   0.000000
    15  H    4.878411   3.067346   2.487672   3.065138   0.000000
    16  H    5.800183   2.495828   2.960565   2.465504   1.768352
    17  H    5.562625   4.323331   3.764643   3.734376   3.808930
    18  H    5.192460   3.785393   2.693977   3.798758   2.476643
    19  H    6.811899   3.663913   2.688930   4.296266   3.787718
    20  H    7.709038   2.505280   3.656511   2.421875   4.524986
    21  H    7.064057   3.734197   4.233488   2.947979   4.793346
    22  H    8.092698   2.987523   3.336196   3.665749   4.801884
    23  H    4.108890   4.791944   5.002642   2.507570   3.844787
    24  H    2.673793   4.948805   4.624223   3.541804   2.273056
    25  H    1.093383   7.561321   7.288492   5.719188   4.899378
    26  H    1.093453   7.453742   6.803588   5.987476   4.621241
    27  H    1.087152   8.496302   8.099219   6.545518   5.932028
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.849334   0.000000
    18  H    3.915846   1.761229   0.000000
    19  H    4.817720   1.767386   1.765670   0.000000
    20  H    4.094520   3.772616   4.318117   3.758852   0.000000
    21  H    4.924883   2.574314   3.771642   3.131688   1.768169
    22  H    4.933685   3.098427   3.769008   2.558868   1.767089
    23  H    4.245974   2.836588   3.498955   4.307837   3.942890
    24  H    3.168762   4.187106   3.371368   5.004486   5.606294
    25  H    5.574987   6.221570   5.707301   7.367148   7.927221
    26  H    5.800953   5.443115   4.821650   6.508346   7.891225
    27  H    6.847195   6.208802   6.028823   7.577130   8.502893
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764187   0.000000
    23  H    3.129180   4.510683   0.000000
    24  H    5.408079   6.081618   3.046492   0.000000
    25  H    7.504107   8.493118   4.525069   2.673086   0.000000
    26  H    7.249424   8.086176   4.539979   2.667459   1.756387
    27  H    7.715380   8.858238   4.716341   3.736967   1.784402
                   26         27
    26  H    0.000000
    27  H    1.784075   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.563436   -0.729672    1.520857
      2          6           0        2.064169   -0.295175    0.147987
      3          6           0        0.913913    0.297997   -0.759656
      4          6           0       -0.457172   -0.234905   -0.607701
      5          6           0       -1.526747    0.432256   -0.171814
      6          6           0       -2.854030   -0.220333   -0.046417
      7          8           0       -3.035071   -1.392293   -0.312062
      8          6           0        2.915069   -1.378214   -0.489725
      9          6           0        2.663856    1.139073    0.184553
     10          6           0        1.305201    1.711207   -0.281468
     11          6           0       -3.981142    0.663387    0.438466
     12          1           0        3.441327    1.268677   -0.569534
     13          1           0        3.047149    1.480572    1.146370
     14          1           0        1.223447    0.160284   -1.801272
     15          1           0        0.696371    2.043708    0.558807
     16          1           0        1.320400    2.500522   -1.031469
     17          1           0        0.975282   -1.647267    1.457061
     18          1           0        0.935555    0.032688    1.984412
     19          1           0        2.410704   -0.916728    2.184750
     20          1           0        3.285809   -1.064848   -1.467813
     21          1           0        2.342708   -2.299836   -0.624139
     22          1           0        3.778609   -1.614247    0.137775
     23          1           0       -0.605465   -1.280098   -0.869451
     24          1           0       -1.457335    1.479231    0.100875
     25          1           0       -4.108725    1.513428   -0.237285
     26          1           0       -3.738662    1.073953    1.422477
     27          1           0       -4.905923    0.094576    0.494443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2319954           0.5287193           0.4855268
 Leave Link  202 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.0483324992 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  3.19D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               4.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer04_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:22:10 2021, MaxMem=  5637144576 cpu:               4.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636786003 LenY=  5636610001
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -464.414760507538    
 DIIS: error= 2.69D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -464.414760507538     IErMin= 1 ErrMin= 2.69D-03
 ErrMax= 2.69D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-02 BMatP= 1.24D-02
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.69D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.347 Goal=   None    Shift=    0.000
 GapD=    0.347 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.34D-02 MaxDP=2.95D+00              OVMax= 2.04D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.93D-02    CP:  1.44D+00
 E= -464.426304405296     Delta-E=       -0.011543897758 Rises=F Damp=F
 DIIS: error= 9.50D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -464.426304405296     IErMin= 2 ErrMin= 9.50D-04
 ErrMax= 9.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-03 BMatP= 1.24D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.50D-03
 Coeff-Com:  0.105D+00 0.895D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.104D+00 0.896D+00
 Gap=     0.362 Goal=   None    Shift=    0.000
 RMSDP=3.44D-03 MaxDP=4.50D-01 DE=-1.15D-02 OVMax= 1.54D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.09D-03    CP:  1.51D+00  1.13D+00
 E= -464.426209796154     Delta-E=        0.000094609142 Rises=F Damp=F
 DIIS: error= 1.18D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -464.426304405296     IErMin= 2 ErrMin= 9.50D-04
 ErrMax= 1.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-03 BMatP= 1.38D-03
 IDIUse=3 WtCom= 2.25D-01 WtEn= 7.75D-01
 Coeff-Com: -0.342D-01 0.546D+00 0.488D+00
 Coeff-En:   0.000D+00 0.519D+00 0.481D+00
 Coeff:     -0.771D-02 0.525D+00 0.482D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=6.85D-04 MaxDP=8.10D-02 DE= 9.46D-05 OVMax= 8.77D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.38D-04    CP:  1.52D+00  1.16D+00  1.05D+00
 E= -464.427498959004     Delta-E=       -0.001289162850 Rises=F Damp=F
 DIIS: error= 1.32D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -464.427498959004     IErMin= 4 ErrMin= 1.32D-04
 ErrMax= 1.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-05 BMatP= 1.38D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.32D-03
 Coeff-Com: -0.947D-02 0.331D-01 0.119D+00 0.858D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.946D-02 0.330D-01 0.119D+00 0.858D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=3.05D-04 MaxDP=3.46D-02 DE=-1.29D-03 OVMax= 1.46D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.42D-05    CP:  1.53D+00  1.17D+00  1.13D+00  1.13D+00
 E= -464.427523357372     Delta-E=       -0.000024398368 Rises=F Damp=F
 DIIS: error= 7.16D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -464.427523357372     IErMin= 5 ErrMin= 7.16D-05
 ErrMax= 7.16D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-06 BMatP= 2.75D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.781D-04-0.630D-01-0.129D-01 0.388D+00 0.687D+00
 Coeff:      0.781D-04-0.630D-01-0.129D-01 0.388D+00 0.687D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=6.31D-05 MaxDP=6.27D-03 DE=-2.44D-05 OVMax= 5.87D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.94D-05    CP:  1.53D+00  1.17D+00  1.16D+00  1.18D+00  9.74D-01
 E= -464.427528567347     Delta-E=       -0.000005209975 Rises=F Damp=F
 DIIS: error= 1.23D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -464.427528567347     IErMin= 6 ErrMin= 1.23D-05
 ErrMax= 1.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-07 BMatP= 4.70D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.804D-03-0.236D-01-0.127D-01 0.671D-01 0.208D+00 0.760D+00
 Coeff:      0.804D-03-0.236D-01-0.127D-01 0.671D-01 0.208D+00 0.760D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.19D-05 MaxDP=1.01D-03 DE=-5.21D-06 OVMax= 3.23D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.51D-06    CP:  1.53D+00  1.17D+00  1.16D+00  1.20D+00  1.03D+00
                    CP:  1.03D+00
 E= -464.427528846373     Delta-E=       -0.000000279026 Rises=F Damp=F
 DIIS: error= 5.07D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -464.427528846373     IErMin= 7 ErrMin= 5.07D-06
 ErrMax= 5.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-08 BMatP= 1.92D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.269D-03 0.351D-03-0.214D-02-0.264D-01-0.243D-01 0.283D+00
 Coeff-Com:  0.769D+00
 Coeff:      0.269D-03 0.351D-03-0.214D-02-0.264D-01-0.243D-01 0.283D+00
 Coeff:      0.769D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=5.57D-06 MaxDP=6.36D-04 DE=-2.79D-07 OVMax= 1.01D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.37D-06    CP:  1.53D+00  1.17D+00  1.16D+00  1.20D+00  1.05D+00
                    CP:  1.09D+00  1.05D+00
 E= -464.427528902606     Delta-E=       -0.000000056232 Rises=F Damp=F
 DIIS: error= 1.59D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -464.427528902606     IErMin= 8 ErrMin= 1.59D-06
 ErrMax= 1.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-09 BMatP= 3.66D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.578D-04 0.281D-02 0.134D-02-0.130D-01-0.323D-01-0.248D-01
 Coeff-Com:  0.124D+00 0.942D+00
 Coeff:     -0.578D-04 0.281D-02 0.134D-02-0.130D-01-0.323D-01-0.248D-01
 Coeff:      0.124D+00 0.942D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=2.12D-06 MaxDP=2.04D-04 DE=-5.62D-08 OVMax= 6.65D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  1.53D+00  1.17D+00  1.16D+00  1.20D+00  1.05D+00
                    CP:  1.11D+00  1.11D+00  1.16D+00
 E= -464.427528909532     Delta-E=       -0.000000006926 Rises=F Damp=F
 DIIS: error= 5.54D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -464.427528909532     IErMin= 9 ErrMin= 5.54D-07
 ErrMax= 5.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.84D-10 BMatP= 2.34D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.558D-04 0.107D-02 0.836D-03-0.216D-02-0.107D-01-0.409D-01
 Coeff-Com: -0.577D-01 0.390D+00 0.720D+00
 Coeff:     -0.558D-04 0.107D-02 0.836D-03-0.216D-02-0.107D-01-0.409D-01
 Coeff:     -0.577D-01 0.390D+00 0.720D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=5.21D-07 MaxDP=3.77D-05 DE=-6.93D-09 OVMax= 1.83D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.74D-07    CP:  1.53D+00  1.17D+00  1.16D+00  1.20D+00  1.05D+00
                    CP:  1.10D+00  1.12D+00  1.23D+00  1.01D+00
 E= -464.427528910718     Delta-E=       -0.000000001186 Rises=F Damp=F
 DIIS: error= 1.99D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -464.427528910718     IErMin=10 ErrMin= 1.99D-07
 ErrMax= 1.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.03D-11 BMatP= 6.84D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.932D-06-0.260D-03-0.397D-04 0.174D-02 0.315D-02 0.123D-03
 Coeff-Com: -0.366D-01-0.668D-01 0.824D-01 0.102D+01
 Coeff:     -0.932D-06-0.260D-03-0.397D-04 0.174D-02 0.315D-02 0.123D-03
 Coeff:     -0.366D-01-0.668D-01 0.824D-01 0.102D+01
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=4.24D-07 MaxDP=5.18D-05 DE=-1.19D-09 OVMax= 9.56D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.35D-07    CP:  1.53D+00  1.17D+00  1.16D+00  1.20D+00  1.05D+00
                    CP:  1.10D+00  1.11D+00  1.24D+00  1.08D+00  1.16D+00
 E= -464.427528910794     Delta-E=       -0.000000000076 Rises=F Damp=F
 DIIS: error= 5.40D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -464.427528910794     IErMin=11 ErrMin= 5.40D-08
 ErrMax= 5.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.75D-12 BMatP= 4.03D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.440D-05-0.138D-03-0.686D-04 0.541D-03 0.138D-02 0.358D-02
 Coeff-Com: -0.532D-02-0.391D-01-0.425D-01 0.206D+00 0.876D+00
 Coeff:      0.440D-05-0.138D-03-0.686D-04 0.541D-03 0.138D-02 0.358D-02
 Coeff:     -0.532D-02-0.391D-01-0.425D-01 0.206D+00 0.876D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=7.92D-08 MaxDP=6.13D-06 DE=-7.59D-11 OVMax= 1.73D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.13D-08    CP:  1.53D+00  1.17D+00  1.16D+00  1.20D+00  1.05D+00
                    CP:  1.10D+00  1.11D+00  1.24D+00  1.08D+00  1.21D+00
                    CP:  1.21D+00
 E= -464.427528910847     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 1.53D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -464.427528910847     IErMin=12 ErrMin= 1.53D-08
 ErrMax= 1.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.46D-13 BMatP= 3.75D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.723D-06-0.819D-07-0.694D-05-0.684D-04-0.908D-04 0.875D-03
 Coeff-Com:  0.224D-02 0.827D-03-0.189D-01-0.645D-01 0.192D+00 0.888D+00
 Coeff:      0.723D-06-0.819D-07-0.694D-05-0.684D-04-0.908D-04 0.875D-03
 Coeff:      0.224D-02 0.827D-03-0.189D-01-0.645D-01 0.192D+00 0.888D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=2.47D-08 MaxDP=1.67D-06 DE=-5.32D-11 OVMax= 5.69D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.10D-08    CP:  1.53D+00  1.17D+00  1.16D+00  1.20D+00  1.05D+00
                    CP:  1.10D+00  1.11D+00  1.24D+00  1.07D+00  1.22D+00
                    CP:  1.31D+00  1.17D+00
 E= -464.427528910760     Delta-E=        0.000000000088 Rises=F Damp=F
 DIIS: error= 6.68D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -464.427528910847     IErMin=13 ErrMin= 6.68D-09
 ErrMax= 6.68D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.07D-14 BMatP= 4.46D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.301D-06 0.159D-04 0.651D-05-0.769D-04-0.191D-03-0.191D-03
 Coeff-Com:  0.978D-03 0.508D-02-0.139D-03-0.388D-01-0.605D-01 0.202D+00
 Coeff-Com:  0.892D+00
 Coeff:     -0.301D-06 0.159D-04 0.651D-05-0.769D-04-0.191D-03-0.191D-03
 Coeff:      0.978D-03 0.508D-02-0.139D-03-0.388D-01-0.605D-01 0.202D+00
 Coeff:      0.892D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.05D-08 MaxDP=1.05D-06 DE= 8.75D-11 OVMax= 3.08D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.56D-09    CP:  1.53D+00  1.17D+00  1.16D+00  1.20D+00  1.05D+00
                    CP:  1.10D+00  1.11D+00  1.24D+00  1.07D+00  1.23D+00
                    CP:  1.33D+00  1.27D+00  1.13D+00
 E= -464.427528910788     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 2.73D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -464.427528910847     IErMin=14 ErrMin= 2.73D-09
 ErrMax= 2.73D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.82D-15 BMatP= 5.07D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-06 0.321D-05 0.204D-05-0.101D-04-0.313D-04-0.111D-03
 Coeff-Com: -0.267D-04 0.970D-03 0.156D-02-0.135D-02-0.315D-01-0.445D-01
 Coeff-Com:  0.193D+00 0.882D+00
 Coeff:     -0.118D-06 0.321D-05 0.204D-05-0.101D-04-0.313D-04-0.111D-03
 Coeff:     -0.267D-04 0.970D-03 0.156D-02-0.135D-02-0.315D-01-0.445D-01
 Coeff:      0.193D+00 0.882D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=2.28D-09 MaxDP=2.44D-07 DE=-2.80D-11 OVMax= 1.50D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -464.427528911     A.U. after   14 cycles
            NFock= 14  Conv=0.23D-08     -V/T= 2.0050
 KE= 4.620973465728D+02 PE=-2.302630051686D+03 EE= 7.650568437036D+02
 Leave Link  502 at Mon Aug 16 21:27:58 2021, MaxMem=  5637144576 cpu:            2776.3 elap:             348.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.90394892D+02

 Leave Link  801 at Mon Aug 16 21:27:59 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 4.80D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.98D-01 5.12D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 4.12D-02 1.03D-01.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 3.92D-03 1.97D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.86D-04 3.21D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.78D-05 7.20D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 8.14D-07 1.49D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.36D-08 3.63D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 1.12D-09 6.19D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 3.74D-11 1.17D-06.
     10 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 9.60D-13 1.28D-07.
      3 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 2.49D-14 1.23D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.168875D+03
      2 -0.336543D+01  0.120975D+03
      3 -0.569112D+01  0.232457D+01  0.103457D+03
 Isotropic polarizability for W=    0.085645      131.10 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.674672D+02 -0.120730D+02  0.209561D+02
      2   0.165292D+02  0.178363D+02 -0.332518D+02
      3   0.509380D+02 -0.576334D+01  0.122956D+02
      4   0.648116D+01  0.239909D+02 -0.235274D+02
      5   0.306391D+02 -0.251267D+02  0.793285D+02
      6  -0.314020D+01 -0.275763D+01  0.127833D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.760480D+00  0.538008D+01 -0.741854D+01
      2   0.354101D+02 -0.109790D+02  0.310061D+02
      3   0.223559D+02 -0.125906D+02  0.124694D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.159937D+01  0.304941D+02 -0.185467D+02
      2  -0.968301D+01 -0.203872D+02  0.283905D+02
      3   0.185542D+02 -0.746164D+01  0.219865D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.345351D+00 -0.759615D+01 -0.373340D+01
      2  -0.759615D+01  0.757655D+00 -0.198775D+01
      3  -0.373340D+01 -0.198775D+01 -0.373100D+00
 OR G Eigenvalues:    -8.9821     1.3793     8.3327  Iso=    -0.2433
 Eigenvectors:
   (1)   0.667345   0.608192   0.429829
   (2)  -0.199298  -0.410258   0.889926
   (3)   0.717587  -0.679552  -0.152572
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2433 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -75.80 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.17D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.93D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.91D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.93D-02 5.21D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 4.63D-03 2.05D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 6.77D-05 1.38D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 1.45D-06 1.23D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 2.07D-08 2.24D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 2.38D-10 2.48D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 2.52D-12 1.89D-07.
     17 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.79D-14 1.23D-08.
      3 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 2.91D-15 9.18D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.44D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.44D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.48D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168875D+03 -0.336543D+01 -0.569112D+01
      2  -0.336543D+01  0.120975D+03  0.232457D+01
      3  -0.569112D+01  0.232457D+01  0.103457D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.760480D+00  0.538008D+01 -0.741854D+01
      2   0.354101D+02 -0.109790D+02  0.310061D+02
      3   0.223559D+02 -0.125906D+02  0.124694D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.674672D+02 -0.120730D+02  0.209561D+02
      2   0.165292D+02  0.178363D+02 -0.332518D+02
      3   0.509380D+02 -0.576334D+01  0.122956D+02
      4   0.648116D+01  0.239909D+02 -0.235274D+02
      5   0.306391D+02 -0.251267D+02  0.793285D+02
      6  -0.314020D+01 -0.275763D+01  0.127833D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.321375D+01  0.117694D+01 -0.392411D+01  0.474615D+00  0.353771D+01
      2   0.117694D+01  0.363548D+01  0.212369D+01  0.353771D+01  0.220313D+01
      3  -0.392411D+01  0.212369D+01 -0.322487D+01  0.214886D+01 -0.160435D+01
                 6             7             8             9            10 
      1   0.214886D+01 -0.364421D+01  0.263375D+01 -0.313793D+01  0.215169D+02
      2  -0.160435D+01  0.263375D+01 -0.106740D+01 -0.834243D+00 -0.243077D+01
      3  -0.152529D+01 -0.313793D+01 -0.834243D+00  0.379457D+00  0.325364D+01
                11            12            13            14            15 
      1  -0.243077D+01  0.325364D+01 -0.103442D+02 -0.196721D+01 -0.254686D+01
      2  -0.237210D+01 -0.198078D+01 -0.196721D+01 -0.446011D+01  0.101465D+01
      3  -0.198078D+01  0.331839D+01 -0.254686D+01  0.101465D+01  0.987241D+00
                16            17            18            19            20 
      1   0.129045D+02 -0.295374D+01  0.538480D+01 -0.366606D+02  0.206210D+01
      2  -0.295374D+01  0.190393D+01  0.517882D+00  0.206210D+01 -0.223993D+01
      3   0.538480D+01  0.517882D+00 -0.234778D+01  0.197700D+00  0.957648D+00
                21            22            23            24            25 
      1   0.197700D+00  0.842440D+01 -0.201921D+01  0.210530D+01 -0.382625D+01
      2   0.957648D+00 -0.201921D+01 -0.182640D+01 -0.150746D+01  0.217986D+01
      3  -0.292637D+01  0.210530D+01 -0.150746D+01  0.191595D+01 -0.647487D+01
                26            27            28            29            30 
      1   0.217986D+01 -0.647487D+01  0.547085D+02 -0.376654D+00 -0.332228D+01
      2  -0.211617D+01  0.137654D+01 -0.376654D+00  0.175249D+01 -0.710916D+00
      3   0.137654D+01  0.498212D+01 -0.332228D+01 -0.710916D+00  0.235959D+01
                31            32            33            34            35 
      1  -0.122803D+02  0.180726D+01  0.163790D-01 -0.134134D+02 -0.149201D+01
      2   0.180726D+01  0.259849D+01  0.139110D+01 -0.149201D+01  0.907944D+00
      3   0.163790D-01  0.139110D+01 -0.108654D+01  0.622970D+01 -0.206304D+00
                36            37            38            39            40 
      1   0.622970D+01 -0.499289D+02 -0.261008D+01  0.330339D+01  0.123410D+02
      2  -0.206304D+00 -0.261008D+01 -0.106022D+01  0.881508D+00 -0.351231D+01
      3  -0.405845D+01  0.330339D+01  0.881508D+00 -0.158956D+01 -0.617463D+00
                41            42            43            44            45 
      1  -0.351231D+01 -0.617463D+00  0.144473D+02  0.130023D+01 -0.480556D+01
      2  -0.213369D+01 -0.129553D+01  0.130023D+01 -0.135549D+01  0.741601D+00
      3  -0.129553D+01  0.190030D+01 -0.480556D+01  0.741601D+00  0.214032D+01
                46            47            48            49            50 
      1   0.184144D+02  0.320855D+01 -0.149856D+01  0.224093D+02  0.823440D+01
      2   0.320855D+01 -0.103016D+00  0.274953D+00  0.823440D+01  0.592166D+01
      3  -0.149856D+01  0.274953D+00 -0.707309D+00  0.743947D-01  0.384569D+00
                51            52            53            54            55 
      1   0.743947D-01  0.202363D+01  0.194983D+01 -0.821286D+00 -0.655227D+01
      2   0.384569D+00  0.194983D+01  0.109839D+01  0.660134D+00 -0.313552D+01
      3  -0.395727D+00 -0.821286D+00  0.660134D+00  0.648309D+00 -0.400303D+00
                56            57            58            59            60 
      1  -0.313552D+01 -0.400303D+00 -0.239046D+02 -0.962405D+01  0.498386D+00
      2  -0.165523D+01 -0.587951D+00 -0.962405D+01 -0.110782D+02 -0.693438D+00
      3  -0.587951D+00 -0.419438D+00  0.498386D+00 -0.693438D+00 -0.143780D+01
                61            62            63            64            65 
      1  -0.566883D+01 -0.208270D+01 -0.168695D+01 -0.609709D+01  0.201543D+01
      2  -0.208270D+01 -0.105710D+01 -0.283382D+01  0.201543D+01  0.291351D+01
      3  -0.168695D+01 -0.283382D+01 -0.133966D+01 -0.230868D+01  0.256280D+01
                66            67            68            69            70 
      1  -0.230868D+01  0.179376D+01  0.223628D+01  0.276390D+01 -0.407471D+01
      2   0.256280D+01  0.223628D+01  0.362731D+01 -0.108064D+00  0.271091D+01
      3  -0.289111D+01  0.276390D+01 -0.108064D+00 -0.165325D+01 -0.388487D+01
                71            72            73            74            75 
      1   0.271091D+01 -0.388487D+01 -0.272264D+01 -0.231302D+01  0.157587D+01
      2  -0.527848D+00 -0.786148D+00 -0.231302D+01  0.177390D+01 -0.693580D+00
      3  -0.786148D+00  0.419187D+01  0.157587D+01 -0.693580D+00 -0.278233D+01
                76            77            78            79            80 
      1  -0.349502D+01  0.215815D+01 -0.159411D+01 -0.382647D+00 -0.119771D+01
      2   0.215815D+01  0.550173D+01 -0.348921D+00 -0.119771D+01 -0.899234D+00
      3  -0.159411D+01 -0.348921D+00 -0.158343D+01 -0.472182D+01 -0.223775D+01
                81            82            83            84            85 
      1  -0.472182D+01 -0.298200D+01  0.185717D+01 -0.224884D+01  0.239936D+01
      2  -0.223775D+01  0.185717D+01  0.177174D+01  0.156185D+01  0.228222D+01
      3  -0.147792D+01 -0.224884D+01  0.156185D+01  0.886077D+00  0.117586D+01
                86            87            88            89            90 
      1   0.228222D+01  0.117586D+01 -0.228840D+01  0.166853D+01  0.130884D+01
      2  -0.120973D+01  0.288313D+01  0.166853D+01  0.395071D+01 -0.245246D+01
      3   0.288313D+01 -0.204689D+01  0.130884D+01 -0.245246D+01 -0.468586D+00
                91            92            93            94            95 
      1   0.250472D+01  0.438430D+01  0.714374D+00  0.731361D+01  0.272738D+01
      2   0.438430D+01  0.685223D+00 -0.155815D+01  0.272738D+01 -0.388689D+01
      3   0.714374D+00 -0.155815D+01 -0.118665D+01 -0.159112D+01  0.772074D+00
                96            97            98            99           100 
      1  -0.159112D+01  0.158125D+01 -0.155642D+01  0.139726D-01  0.646498D+01
      2   0.772074D+00 -0.155642D+01  0.126085D+01 -0.362707D+01  0.180057D+01
      3  -0.306502D+01  0.139726D-01 -0.362707D+01 -0.314049D+01 -0.255571D+01
               101           102           103           104           105 
      1   0.180057D+01 -0.255571D+01  0.714518D+00  0.984890D+00 -0.254879D+00
      2   0.151894D+01 -0.547243D+00  0.984890D+00  0.414345D+00 -0.577062D+00
      3  -0.547243D+00  0.218133D+01 -0.254879D+00 -0.577062D+00  0.497353D+00
               106           107           108           109           110 
      1  -0.473151D+01 -0.905027D+00  0.289440D+01  0.272092D+01  0.150580D+01
      2  -0.905027D+00 -0.153165D+01  0.113481D+01  0.150580D+01  0.853190D+00
      3   0.289440D+01  0.113481D+01 -0.260638D+01  0.166576D+01  0.794947D+00
               111           112           113           114           115 
      1   0.166576D+01  0.862832D+00  0.124916D+01  0.962947D+00  0.420297D+01
      2   0.794947D+00  0.124916D+01  0.147876D+01  0.136480D+01  0.191058D+01
      3   0.189463D+01  0.962947D+00  0.136480D+01  0.139443D+01  0.383929D+01
               116           117           118           119           120 
      1   0.191058D+01  0.383929D+01  0.547560D+01 -0.743099D+00 -0.174761D+01
      2   0.256354D+01  0.220324D+01 -0.743099D+00  0.539289D+00 -0.150723D-01
      3   0.220324D+01  0.529345D+01 -0.174761D+01 -0.150723D-01  0.186965D+01
               121           122           123           124           125 
      1  -0.449800D+01  0.847639D+00  0.534942D-01 -0.374124D+01 -0.234527D+00
      2   0.847639D+00 -0.871441D-01 -0.953601D+00 -0.234527D+00 -0.131590D+01
      3   0.534942D-01 -0.953601D+00 -0.969436D+00  0.345985D+01 -0.750923D+00
               126           127           128           129           130 
      1   0.345985D+01 -0.223115D+01  0.333873D+00  0.105369D+01  0.438784D+00
      2  -0.750923D+00  0.333873D+00 -0.172204D+01 -0.798540D+00 -0.957184D+00
      3  -0.833675D+01  0.105369D+01 -0.798540D+00 -0.136470D+01 -0.522174D+00
               131           132           133           134           135 
      1  -0.957184D+00 -0.522174D+00  0.195068D+01 -0.727835D+00 -0.973521D+00
      2   0.209835D+01  0.746815D+00 -0.727835D+00  0.191617D+01  0.164094D+01
      3   0.746815D+00  0.109166D+01 -0.973521D+00  0.164094D+01  0.285716D+01
               136           137           138           139           140 
      1   0.679361D+00  0.997508D+00 -0.381948D+00  0.466616D+00  0.158702D+00
      2   0.997508D+00 -0.422360D-01 -0.113244D+00  0.158702D+00  0.711818D+01
      3  -0.381948D+00 -0.113244D+00 -0.992595D-01 -0.116443D+00 -0.325758D+01
               141           142           143           144           145 
      1  -0.116443D+00 -0.102158D+01 -0.313365D+00 -0.233610D+00 -0.191236D+01
      2  -0.325758D+01 -0.313365D+00 -0.477355D+01  0.333753D+01 -0.160342D+01
      3   0.236847D+01 -0.233610D+00  0.333753D+01 -0.316368D+01  0.562232D+00
               146           147           148           149           150 
      1  -0.160342D+01  0.562232D+00 -0.172990D+01 -0.199598D+01  0.123510D+00
      2  -0.268972D+01  0.474963D+00 -0.199598D+01 -0.568888D+01  0.140878D+01
      3   0.474963D+00 -0.763212D+00  0.123510D+00  0.140878D+01 -0.159615D+01
               151           152           153           154           155 
      1  -0.168710D+00 -0.845532D-01 -0.185122D+00 -0.214703D+01  0.910441D+00
      2  -0.845532D-01  0.743278D-01 -0.579378D+00  0.910441D+00 -0.158612D+01
      3  -0.185122D+00 -0.579378D+00  0.285240D+00  0.133578D+01 -0.682336D+00
               156           157           158           159           160 
      1   0.133578D+01  0.149799D+01 -0.135537D+01 -0.848644D+00  0.118961D+01
      2  -0.682336D+00 -0.135537D+01  0.218092D+01  0.110811D+01 -0.727674D+00
      3  -0.166822D+01 -0.848644D+00  0.110811D+01  0.254698D+01 -0.817671D+00
               161           162           163           164           165 
      1  -0.727674D+00 -0.817671D+00  0.530781D+01 -0.138738D+01  0.362950D+01
      2   0.111961D+01  0.112162D+01 -0.138738D+01  0.121216D+01 -0.135658D+01
      3   0.112162D+01  0.255285D+01  0.362950D+01 -0.135658D+01  0.432319D+01
               166           167           168           169           170 
      1  -0.514658D+00  0.663529D+00 -0.723994D+00  0.247292D+01 -0.101159D+01
      2   0.663529D+00 -0.111097D+01  0.118566D+01 -0.101159D+01  0.109212D+01
      3  -0.723994D+00  0.118566D+01 -0.715293D+00  0.307349D+01 -0.116346D+01
               171           172           173           174           175 
      1   0.307349D+01  0.248216D+01 -0.170646D+00 -0.161130D+01  0.107129D+01
      2  -0.116346D+01 -0.170646D+00  0.150840D+00 -0.220917D+00 -0.461618D-01
      3   0.457277D+01 -0.161130D+01 -0.220917D+00  0.216063D+01 -0.852358D+00
               176           177           178           179           180 
      1  -0.461618D-01 -0.852358D+00 -0.262213D+01  0.150797D+00  0.318690D+01
      2   0.456804D+00 -0.770994D+00  0.150797D+00 -0.148980D+01 -0.165468D-01
      3  -0.770994D+00  0.150090D+01  0.318690D+01 -0.165468D-01 -0.670246D+01
               181           182           183           184           185 
      1  -0.108637D+01 -0.104826D+01  0.786340D-01 -0.170080D+01 -0.576552D+00
      2  -0.104826D+01 -0.335828D+01 -0.790100D+00 -0.576552D+00 -0.777557D+01
      3   0.786340D-01 -0.790100D+00 -0.641163D+00 -0.207746D+00 -0.122731D+01
               186           187           188           189           190 
      1  -0.207746D+00  0.307978D+00 -0.410929D+00  0.188478D+00  0.799571D+01
      2  -0.122731D+01 -0.410929D+00 -0.751676D+00 -0.102978D+01 -0.305245D+01
      3  -0.122454D+01  0.188478D+00 -0.102978D+01 -0.892698D+00  0.200014D+01
               191           192           193           194           195 
      1  -0.305245D+01  0.200014D+01 -0.145391D+01  0.159080D+01 -0.725667D+00
      2   0.188179D+01 -0.816082D+00  0.159080D+01 -0.184126D+01  0.549096D+00
      3  -0.816082D+00  0.196717D+01 -0.725667D+00  0.549096D+00 -0.317222D+00
               196           197           198           199           200 
      1   0.488072D+01 -0.199454D+01  0.227621D+01  0.408991D+00 -0.869032D+00
      2  -0.199454D+01  0.183077D+01 -0.757456D+00 -0.869032D+00 -0.336098D+00
      3   0.227621D+01 -0.757456D+00  0.165021D+01 -0.523419D+00 -0.104829D+00
               201           202           203           204           205 
      1  -0.523419D+00 -0.221054D+01 -0.228320D-01  0.272666D+00 -0.192107D+01
      2  -0.104829D+00 -0.228320D-01 -0.560735D+01 -0.161410D+01  0.359646D+00
      3  -0.656629D-01  0.272666D+00 -0.161410D+01 -0.159792D+01 -0.768908D+00
               206           207           208           209           210 
      1   0.359646D+00 -0.768908D+00 -0.887886D+00  0.125409D+01  0.583886D+00
      2  -0.125730D+01 -0.113635D+01  0.125409D+01  0.182253D+00 -0.119432D+00
      3  -0.113635D+01 -0.804269D+00  0.583886D+00 -0.119432D+00 -0.158108D+00
               211           212           213           214           215 
      1   0.245512D+01 -0.349763D+00 -0.325036D+00  0.878020D+00 -0.472275D+00
      2  -0.349763D+00  0.581224D+01  0.107336D+01 -0.472275D+00  0.132949D+01
      3  -0.325036D+00  0.107336D+01  0.100477D+01  0.305633D+00  0.608574D+00
               216           217           218           219           220 
      1   0.305633D+00 -0.240695D+01  0.510471D+00 -0.728829D+00  0.316456D+01
      2   0.608574D+00  0.510471D+00 -0.667679D+00  0.564991D+00 -0.299234D+01
      3   0.239145D+00 -0.728829D+00  0.564991D+00 -0.261344D+00  0.390067D+00
               221           222           223           224           225 
      1  -0.299234D+01  0.390067D+00 -0.256635D+01  0.161325D+01 -0.109882D+01
      2   0.606103D+01 -0.167789D+01  0.161325D+01 -0.304905D+01  0.227796D+01
      3  -0.167789D+01  0.235235D+01 -0.109882D+01  0.227796D+01 -0.187354D+01
               226           227           228           229           230 
      1  -0.464515D+00 -0.384259D+00  0.520966D+00  0.118535D+01 -0.124216D+01
      2  -0.384259D+00  0.555595D+00  0.619940D+00 -0.124216D+01  0.262866D+01
      3   0.520966D+00  0.619940D+00  0.100640D+01 -0.314236D+00  0.166352D+01
               231           232           233           234           235 
      1  -0.314236D+00  0.300366D+01 -0.592170D+00 -0.138568D+01 -0.938664D+01
      2   0.166352D+01 -0.592170D+00  0.219503D+01  0.282375D+01 -0.189262D+01
      3   0.231372D+01 -0.138568D+01  0.282375D+01  0.684133D+01  0.776005D+00
               236           237           238           239           240 
      1  -0.189262D+01  0.776005D+00 -0.488122D+01 -0.181698D+01  0.654961D+00
      2  -0.159374D+01  0.278459D+00 -0.181698D+01 -0.139546D+01  0.906217D-01
      3   0.278459D+00 -0.121776D+01  0.654961D+00  0.906217D-01 -0.659619D+00
               241           242           243 
      1   0.227726D+00  0.279675D+00 -0.116492D+01
      2   0.279675D+00 -0.507262D-01 -0.328869D-01
      3  -0.116492D+01 -0.328869D-01  0.578450D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.252500D+01  0.107397D+02  0.180013D+01  0.107313D+02  0.378362D+01
      2  -0.710626D+01  0.428246D+00  0.538490D+01  0.226218D+01 -0.109573D+02
      3  -0.952982D+00 -0.994674D+01  0.105270D+01 -0.509428D+01 -0.801376D+01
                 6             7             8             9            10 
      1  -0.768541D+01  0.221923D+01 -0.155001D+01 -0.341012D+01  0.583508D+01
      2  -0.721774D+01 -0.129810D+01 -0.590288D+01  0.614258D+01  0.243467D+02
      3  -0.161801D+00 -0.134781D+01 -0.449416D+00  0.404001D+01  0.428890D+01
                11            12            13            14            15 
      1  -0.473385D+01  0.182533D+01 -0.310436D+01 -0.376967D-01 -0.340592D+01
      2  -0.660212D+01  0.117344D+02 -0.151068D+02  0.504404D+01  0.266045D+01
      3   0.455095D+01  0.195997D+01  0.102878D+02  0.145088D+02 -0.126617D+01
                16            17            18            19            20 
      1   0.898742D+00  0.550481D+01 -0.105716D+01 -0.675882D+01  0.309288D+01
      2   0.138787D+02  0.195905D+01 -0.279315D+01 -0.265506D+02  0.364282D+01
      3   0.410224D+01 -0.422503D+00 -0.348909D+01 -0.598587D+01 -0.428027D+01
                21            22            23            24            25 
      1  -0.235987D+01  0.161627D+01  0.542942D+01 -0.115902D+01 -0.175471D+01
      2   0.111273D+01  0.112270D+02 -0.364455D+01  0.427377D+01 -0.169841D+02
      3   0.592100D+00  0.881429D+01 -0.110678D+01  0.928997D+00  0.111125D+01
                26            27            28            29            30 
      1   0.384262D+01 -0.303991D+01  0.614678D+01 -0.728594D+00  0.156860D+01
      2   0.318521D+01 -0.331727D+01  0.310523D+02  0.252293D+00 -0.752788D+01
      3   0.108018D+01 -0.133624D+01  0.123998D+02  0.346221D+01 -0.253987D+01
                31            32            33            34            35 
      1   0.191289D+01 -0.327542D+01 -0.382625D+00 -0.191665D+01  0.251567D+01
      2  -0.595638D+01  0.114731D+01  0.446210D+00 -0.385917D+02 -0.652751D+00
      3   0.108258D+02  0.122561D+01 -0.364834D+00 -0.771237D+01 -0.186739D+01
                36            37            38            39            40 
      1   0.275479D+01 -0.170819D+01  0.354465D-01 -0.905051D-01  0.249665D+01
      2   0.792245D+01 -0.298347D+02 -0.234160D+01  0.110768D+02  0.646654D+01
      3   0.169841D+01 -0.214215D+02 -0.118498D+02  0.263268D+01  0.105071D+02
                41            42            43            44            45 
      1  -0.744613D+00  0.589957D-01  0.907043D+01  0.497160D+01 -0.107648D+01
      2  -0.267146D+00 -0.689782D+00  0.163316D+02 -0.151140D+01 -0.818469D+01
      3  -0.431901D+01 -0.315497D+01  0.726125D+01 -0.716977D+00 -0.500002D+00
                46            47            48            49            50 
      1  -0.103873D+01  0.278702D+01 -0.196730D+01  0.268255D+01 -0.190193D+01
      2   0.516345D+01  0.464854D+01 -0.122087D+02  0.113648D+02  0.119320D+01
      3   0.547790D+01  0.486134D+01 -0.165955D+01  0.370975D+02  0.253475D+02
                51            52            53            54            55 
      1   0.399397D+01  0.394666D+01  0.765041D+01  0.348222D+01  0.203149D+01
      2  -0.768942D+01 -0.235060D+02 -0.557254D+00  0.416240D+01 -0.113720D+01
      3  -0.102529D+01 -0.145664D+00  0.339454D+01  0.190408D+01 -0.243024D+01
                56            57            58            59            60 
      1  -0.519873D+00 -0.220296D-01 -0.396085D+00  0.358628D+00 -0.903004D+01
      2   0.130269D+00  0.736912D+01 -0.106283D+02 -0.840055D+00  0.121029D+02
      3  -0.948201D+01 -0.180579D+01 -0.207677D+02 -0.414478D+02 -0.218048D+01
                61            62            63            64            65 
      1   0.257053D+00  0.110976D+01 -0.216512D+01 -0.509044D+01  0.359524D+01
      2   0.533102D+01  0.669777D+01  0.295993D+01 -0.101939D+02  0.102026D+02
      3  -0.416496D+01 -0.509104D+01 -0.781774D+01  0.174263D+01 -0.168440D+02
                66            67            68            69            70 
      1  -0.739889D+01  0.345484D+01 -0.297899D+01 -0.425524D+01 -0.102342D+02
      2  -0.917981D+01  0.917574D+01  0.745534D+00 -0.327210D+01 -0.171392D+02
      3  -0.543147D+01 -0.612301D+01 -0.192546D+02 -0.451648D+01 -0.426646D+01
                71            72            73            74            75 
      1   0.155845D+01  0.847927D+01 -0.385178D+01  0.298635D+01  0.387213D+01
      2  -0.319049D-02  0.115548D+02  0.220099D+01 -0.142103D+01 -0.866160D+01
      3  -0.459944D+01  0.902359D+01  0.795297D+01 -0.142712D+02  0.717563D+01
                76            77            78            79            80 
      1   0.191250D+01  0.311594D+01  0.614757D+00  0.786865D+01  0.616278D+01
      2  -0.478322D+01 -0.183139D+01 -0.590611D+01 -0.215808D+02 -0.858832D+01
      3  -0.720414D+01 -0.147745D+02  0.108943D+00  0.760679D+01 -0.756403D+00
                81            82            83            84            85 
      1   0.193353D+01  0.489218D+01 -0.569547D+01 -0.268266D+01 -0.799191D+01
      2  -0.578886D+01 -0.441662D+01  0.242108D+01  0.244472D+01  0.512117D+01
      3   0.186315D+01 -0.103921D+02 -0.927701D+00 -0.827710D+01  0.669368D+01
                86            87            88            89            90 
      1  -0.985942D+01  0.109792D+01 -0.207184D+01  0.848923D+01  0.126940D+01
      2   0.371890D+01 -0.104452D+01 -0.179853D+01 -0.142737D+00 -0.170652D+00
      3   0.515506D+01  0.819952D+00 -0.111218D+02  0.271479D+00  0.635885D+01
                91            92            93            94            95 
      1   0.602325D+00  0.149148D+01  0.242086D+01  0.445044D+01 -0.342610D+01
      2  -0.466561D+01  0.524452D+01  0.114938D+02  0.682524D+01 -0.501233D+01
      3   0.186460D+02  0.234459D+01 -0.564659D+01  0.193118D+02 -0.141927D+02
                96            97            98            99           100 
      1   0.934686D+00 -0.634533D+01  0.874607D+01  0.190090D+01  0.359013D+01
      2   0.120010D+02 -0.988738D+01  0.207058D+02  0.150542D+02 -0.789757D+01
      3   0.171987D+01 -0.539448D+01  0.517865D+01 -0.161715D+02  0.381639D+01
               101           102           103           104           105 
      1  -0.248812D+00 -0.358088D+01  0.492212D+00  0.669461D+00 -0.164383D+01
      2  -0.144666D+01  0.924345D+01 -0.114809D+01 -0.163605D+01  0.186881D+01
      3  -0.425910D+01 -0.194398D+01  0.765800D-01  0.572177D+00  0.140618D+01
               106           107           108           109           110 
      1  -0.374120D+01  0.280358D+00  0.398624D+01 -0.184528D+01 -0.166722D+00
      2   0.668886D+01  0.304517D+01 -0.888493D+01  0.286882D+01  0.218317D+01
      3  -0.379991D+01  0.511048D+01  0.480600D+00  0.171014D+00 -0.217237D+01
               111           112           113           114           115 
      1  -0.290149D+01 -0.164266D+01 -0.116895D+01 -0.280842D+01 -0.459038D+01
      2   0.710581D+01  0.169479D+01  0.436062D+01  0.471702D+01  0.882746D+01
      3  -0.322632D+00 -0.287060D-02 -0.291946D+01 -0.256278D+01 -0.776819D-01
               116           117           118           119           120 
      1   0.819395D+00 -0.789141D+01  0.809100D+00 -0.153138D+01 -0.376569D+00
      2   0.644960D+01  0.170669D+02  0.418964D+01 -0.119805D+01  0.134697D+01
      3  -0.708167D+01 -0.177987D+01  0.150977D+01 -0.175533D+01 -0.634169D+00
               121           122           123           124           125 
      1  -0.283015D+01 -0.805063D-01  0.394876D+00  0.101906D+01  0.413924D+01
      2  -0.487814D+01  0.536992D+00 -0.661033D+00 -0.388595D+01 -0.797471D+00
      3   0.124453D+01 -0.266814D+00  0.553354D+00 -0.865680D+00  0.168947D+01
               126           127           128           129           130 
      1   0.293040D+01 -0.297465D+01  0.178744D+01  0.417781D+01  0.170191D+01
      2  -0.428698D+01  0.259110D+01 -0.739384D+00 -0.323138D+00 -0.920566D+00
      3   0.111292D+01 -0.856417D+01  0.155454D+01  0.450699D+01  0.358663D+01
               131           132           133           134           135 
      1  -0.165446D+01 -0.368157D+01  0.295355D+01 -0.196906D+01 -0.840284D+01
      2   0.928420D+00  0.785704D+00 -0.331848D+01  0.177095D+01  0.237903D+01
      3  -0.512941D+01 -0.257281D+01  0.784318D+01 -0.402007D+01 -0.585913D+01
               136           137           138           139           140 
      1   0.105861D+00  0.539356D+00  0.492445D+00 -0.375106D+00  0.351072D+01
      2   0.133209D+00  0.177943D+00  0.474550D+00  0.105982D+01 -0.300864D+01
      3  -0.127246D+01  0.946797D+00 -0.324536D+00  0.488160D+01 -0.995251D+01
               141           142           143           144           145 
      1  -0.660783D+01  0.771943D+00 -0.362997D+01  0.685579D+01 -0.327545D+01
      2   0.226737D+01 -0.240591D+01  0.321047D+01 -0.329221D+01  0.621617D+01
      3   0.439724D+01 -0.273373D+01  0.573036D+01 -0.542839D+01  0.715363D+01
               146           147           148           149           150 
      1  -0.554455D+01 -0.130355D+01 -0.460742D+01 -0.940334D+01 -0.202122D+01
      2   0.424384D+01 -0.124246D+01  0.512750D+01  0.742652D+01 -0.184562D+01
      3   0.517145D+01 -0.118544D+01  0.832861D+01  0.107540D+02 -0.259616D+01
               151           152           153           154           155 
      1  -0.912172D+00  0.770103D+00 -0.132029D+01  0.399559D+01 -0.565893D+01
      2  -0.142311D+01 -0.754955D+00  0.790127D+00  0.943180D+01 -0.394979D+01
      3   0.107582D+01  0.239333D+00  0.136607D+01 -0.279464D+00  0.281078D+00
               156           157           158           159           160 
      1  -0.214895D+01 -0.454327D+01  0.762872D+01  0.205478D+01 -0.228989D+01
      2  -0.390344D+01 -0.636989D+01  0.569346D+01  0.534696D+01 -0.535461D+01
      3  -0.175529D+00  0.243892D+01 -0.934742D+00 -0.843536D+00  0.399760D+00
               161           162           163           164           165 
      1   0.454829D+01  0.374991D+01  0.106320D+01  0.210428D+01  0.222356D+01
      2   0.360359D+01  0.544631D+01 -0.340998D+01 -0.552192D+00  0.422499D+01
      3  -0.196542D+00 -0.904551D+00 -0.198584D+01 -0.295745D+01 -0.217989D+00
               166           167           168           169           170 
      1   0.163140D+00 -0.100124D+01  0.758772D-01  0.113115D+01  0.280122D+01
      2   0.784127D+00  0.147836D+01  0.131757D+00 -0.326760D+01 -0.242997D-01
      3   0.405021D+00  0.185306D+01 -0.130618D+01 -0.178918D+01 -0.185634D+01
               171           172           173           174           175 
      1   0.281997D+01 -0.257066D+01 -0.120326D+01  0.403405D+01 -0.780865D+00
      2   0.355784D+01 -0.301225D+01 -0.719867D+00  0.700191D+01 -0.107045D+01
      3  -0.733379D+00 -0.264629D+01 -0.128587D+01  0.320147D+01  0.173459D-01
               176           177           178           179           180 
      1  -0.251165D+01  0.194099D+01  0.470744D+01  0.442750D+01 -0.109593D+02
      2  -0.253475D+01  0.447933D+01  0.518283D+01  0.614980D+00 -0.195078D+02
      3  -0.198324D+01  0.336250D+01  0.343499D+01  0.597098D+01 -0.481292D+01
               181           182           183           184           185 
      1   0.843487D+00  0.471378D+00 -0.177245D+01  0.310534D+00  0.240970D+01
      2  -0.113977D+01 -0.285574D+01 -0.713073D+00 -0.213352D+01 -0.438508D+01
      3   0.791742D+01  0.117762D+02  0.222682D+01  0.815993D+01  0.264727D+02
               186           187           188           189           190 
      1  -0.400867D+01  0.299965D+00  0.124188D+00 -0.133942D+01  0.524298D+01
      2  -0.317788D+01 -0.415228D+00 -0.301850D+01 -0.229232D+01  0.985597D+01
      3   0.449898D+01  0.152985D+01  0.360590D+01  0.295381D+01 -0.369169D+01
               191           192           193           194           195 
      1  -0.194241D+01  0.477358D+01 -0.224762D+01  0.164142D+01 -0.184201D+01
      2  -0.429168D+01  0.103176D+02 -0.361606D+01  0.273407D+01 -0.198523D+01
      3  -0.395786D+01 -0.639271D+00 -0.377921D+00  0.406308D+01 -0.431329D+00
               196           197           198           199           200 
      1   0.421903D+01 -0.411106D+00  0.355830D+01 -0.653748D+00  0.554556D+00
      2   0.801476D+01 -0.289462D+01  0.771435D+01  0.681769D+00 -0.587500D+00
      3  -0.622041D+00 -0.397638D+01 -0.114657D+01  0.114037D+01  0.205674D+00
               201           202           203           204           205 
      1  -0.727868D+00  0.120288D+01  0.534145D+01 -0.267752D+01 -0.601360D+01
      2   0.120437D+00 -0.244622D+01 -0.441339D+00  0.160112D+01 -0.175032D+01
      3  -0.275611D+00  0.473039D+01 -0.324135D+01  0.204143D+00  0.142762D+01
               206           207           208           209           210 
      1   0.124435D+01  0.398892D+00 -0.179687D+01  0.163864D+00  0.238057D+00
      2   0.112014D+01  0.896742D-01 -0.385923D+01  0.170935D+00  0.646341D+00
      3  -0.812570D-01 -0.142336D+01  0.362584D+01  0.161044D+01  0.204993D+00
               211           212           213           214           215 
      1   0.176663D+01 -0.854017D+00 -0.398854D+01 -0.635010D+01  0.397149D+00
      2   0.238031D+01 -0.280961D+01 -0.257431D+01 -0.969167D+01 -0.160861D+01
      3   0.515441D+01  0.109863D+02  0.205558D+01  0.125877D+01  0.219516D+01
               216           217           218           219           220 
      1   0.152439D-01  0.200317D+00 -0.831017D+00  0.675019D+00 -0.243046D+01
      2   0.443456D+00  0.119275D+01 -0.218777D+01  0.272546D+01 -0.366681D+01
      3   0.117773D+01  0.416203D+00 -0.342121D+01  0.170527D+01 -0.784233D+01
               221           222           223           224           225 
      1   0.462423D+01 -0.454314D+01  0.260617D+01 -0.276457D+01  0.334764D+01
      2   0.946411D+01 -0.100717D+02  0.709441D+01 -0.113178D+02  0.813772D+01
      3   0.232652D+02 -0.702418D+01  0.427292D+01 -0.122420D+02  0.896521D+01
               226           227           228           229           230 
      1   0.469710D+00 -0.272727D+00 -0.108565D+01 -0.429595D-01  0.156534D-01
      2   0.296876D-02 -0.353633D+01 -0.508365D+01  0.149184D+00 -0.736865D+01
      3  -0.454415D+00  0.863237D+00  0.287662D+01 -0.261694D+01  0.953160D+01
               231           232           233           234           235 
      1  -0.239761D+01  0.160023D+01  0.125717D+00 -0.531613D+01 -0.173863D+01
      2  -0.994679D+01  0.401238D+01 -0.131077D+02 -0.301801D+02  0.450631D+00
      3   0.663722D+01  0.102131D+01  0.870488D+01  0.109497D+02 -0.145008D+02
               236           237           238           239           240 
      1  -0.127143D+01  0.317078D+00 -0.105645D+01 -0.792891D+00 -0.756583D+00
      2  -0.154303D+00  0.674799D+01 -0.913978D+00  0.265380D+00  0.339985D+01
      3  -0.107068D+02  0.178196D+01 -0.809435D+01 -0.788133D+01  0.470571D+00
               241           242           243 
      1   0.969725D+00  0.585026D+00 -0.342021D+00
      2   0.249814D+01  0.202718D+00 -0.187928D+01
      3   0.169606D+01  0.186035D+00 -0.491367D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.585810D+01  0.511259D+01 -0.874835D+01  0.208465D+01  0.191201D+02
      2   0.685016D+01 -0.178088D+02  0.117878D+02 -0.139272D+02 -0.122846D+02
      3  -0.127083D+02  0.126962D+02 -0.303944D+01  0.118426D+02 -0.683555D+01
      4   0.712714D+01  0.815218D+01  0.122192D+02  0.985482D+01 -0.597038D+00
      5  -0.214768D+02  0.113957D+02 -0.246274D+02  0.113769D+02  0.337315D+01
      6   0.667448D+01  0.687194D+01  0.112489D+02  0.714935D+01  0.664672D+01
                 6             7             8             9            10 
      1   0.940399D+01 -0.506808D+01  0.118376D+02 -0.172239D+02 -0.189389D+00
      2   0.311548D+00  0.922663D+01 -0.211286D+01  0.966477D+01 -0.294865D+01
      3  -0.971554D+01 -0.415855D+01 -0.972478D+01  0.755918D+01  0.313804D+01
      4  -0.664155D+01  0.147158D+02 -0.660785D+01  0.326908D+01 -0.171267D+02
      5   0.889440D+00 -0.246270D+02  0.551798D+01 -0.952906D+01  0.100340D+02
      6  -0.246664D+01  0.111966D+02 -0.223327D+01 -0.570518D+01 -0.798195D+01
                11            12            13            14            15 
      1  -0.690953D+01  0.200863D+01  0.226448D+01 -0.230501D+02 -0.923481D+01
      2   0.103727D+02 -0.178876D+01  0.556639D+00  0.106827D+02  0.226230D+01
      3  -0.346315D+01 -0.219871D+00 -0.282112D+01  0.123674D+02  0.697251D+01
      4  -0.117887D+02 -0.119367D+02 -0.146617D+02 -0.204677D+02  0.551394D+01
      5  -0.105107D+02  0.143866D+02 -0.121657D+02  0.101323D+01  0.642435D+01
      6   0.708221D+01 -0.196910D+01  0.204139D+01 -0.987420D+01 -0.119552D+01
                16            17            18            19            20 
      1   0.365461D+01 -0.147208D+02  0.146544D+02  0.342254D+02  0.105138D+02
      2   0.383982D+01  0.580768D+01 -0.111596D+02 -0.136793D+02 -0.104859D+02
      3  -0.749442D+01  0.891312D+01 -0.349478D+01 -0.205461D+02 -0.278263D-01
      4  -0.197755D+02  0.116785D+02  0.141792D+01  0.223180D+02 -0.448061D+01
      5   0.222591D+02  0.194214D+01 -0.855745D+01  0.118285D+02  0.270529D+01
      6  -0.290437D+01 -0.386432D+00  0.755052D+01  0.836268D+01  0.120919D+01
                21            22            23            24            25 
      1  -0.436146D+01  0.383017D+01  0.252607D+01  0.289624D+01 -0.206442D+02
      2  -0.239851D+01 -0.402835D+01 -0.576061D+01 -0.121151D+01 -0.635506D+01
      3   0.675997D+01  0.198178D+00  0.323454D+01 -0.168473D+01  0.269993D+02
      4   0.447407D+01 -0.546438D+01 -0.198298D+01 -0.428593D+01  0.118433D+02
      5  -0.589064D+01  0.533716D+01 -0.709892D+00  0.368883D+01 -0.173584D+02
      6   0.166546D+00  0.167962D+01  0.381955D+01  0.286473D+01 -0.253933D+01
                26            27            28            29            30 
      1   0.721650D+01  0.104415D+02 -0.110387D+03 -0.244187D+01  0.798707D+01
      2  -0.537862D+01  0.128009D+02  0.429626D+02 -0.988122D+00 -0.254917D+01
      3  -0.183788D+01 -0.232424D+02  0.674239D+02  0.342999D+01 -0.543790D+01
      4  -0.887957D+01  0.276103D+01 -0.144987D+02 -0.851585D+01  0.201249D+01
      5   0.312342D+01  0.154751D+02 -0.105709D+02  0.192427D+01 -0.940497D+01
      6   0.340976D+01 -0.902735D+00 -0.755846D+01 -0.325176D+01  0.170725D+01
                31            32            33            34            35 
      1   0.372010D+02  0.365945D+01  0.284349D+01  0.370268D+02  0.690229D+01
      2  -0.168150D+02 -0.251931D+01 -0.220569D+01 -0.876164D+01 -0.477524D+01
      3  -0.203860D+02 -0.114014D+01 -0.637800D+00 -0.282652D+02 -0.212704D+01
      4   0.939847D+00 -0.328061D+01 -0.164532D+01  0.270934D+01  0.496341D+01
      5  -0.215396D+01 -0.275091D+01  0.132008D+01 -0.163490D+01 -0.152405D+01
      6  -0.115558D+01 -0.894440D+01 -0.199489D+01 -0.310180D+00  0.358181D+01
                36            37            38            39            40 
      1  -0.261328D+02  0.135066D+03  0.837085D+01 -0.130755D+02 -0.344889D+02
      2  -0.118983D+01 -0.483390D+02 -0.147976D+01  0.349972D+01  0.162377D+02
      3   0.273226D+02 -0.867269D+02 -0.689109D+01  0.957575D+01  0.182511D+02
      4  -0.204248D+01  0.228662D+02  0.205322D+02 -0.357794D+01  0.211866D+02
      5   0.901395D+01  0.531641D+01 -0.118337D+01  0.168746D+02 -0.198794D+00
      6  -0.302404D+01  0.794652D+01  0.271899D+01 -0.363950D+01  0.203092D+01
                41            42            43            44            45 
      1   0.901198D+01  0.775829D+01 -0.348114D+02  0.742630D+00  0.363194D+01
      2  -0.820471D+01 -0.291695D+01  0.156186D+02 -0.246135D+01 -0.615775D+01
      3  -0.807264D+00 -0.484134D+01  0.191928D+02  0.171872D+01  0.252582D+01
      4   0.711223D+01  0.284919D+01 -0.971637D+01  0.126555D+01 -0.262513D+01
      5   0.525807D+01 -0.585420D+01  0.227056D+02 -0.373408D+01 -0.481686D+01
      6  -0.255199D+01  0.421164D+01 -0.101351D+02  0.508173D+01 -0.635119D+00
                46            47            48            49            50 
      1  -0.579667D+02  0.568867D+01  0.398208D+01 -0.424717D+02 -0.185786D+02
      2   0.158262D+02 -0.560004D+01 -0.563177D+01  0.458916D+01 -0.388401D+01
      3   0.421405D+02 -0.886314D-01  0.164968D+01  0.378826D+02  0.224626D+02
      4  -0.988909D+01 -0.214677D+02 -0.283356D+01 -0.673659D+02 -0.458103D+02
      5   0.432292D+01 -0.640926D+01 -0.157421D+02 -0.209659D+02 -0.707084D+01
      6  -0.101975D+02  0.222733D+01  0.270424D+01 -0.742675D+01 -0.561167D+01
                51            52            53            54            55 
      1  -0.288610D+01  0.372430D+01 -0.722006D+01 -0.215238D+01  0.339436D+02
      2   0.473557D+01 -0.512350D+01 -0.811951D+00 -0.389653D+01 -0.135432D+02
      3  -0.184947D+01  0.139919D+01  0.803202D+01  0.604892D+01 -0.204004D+02
      4  -0.159897D+01 -0.188782D+02 -0.377551D+01 -0.408971D+01  0.250138D+02
      5  -0.440082D+01  0.261511D+01 -0.492760D+01  0.149103D+01  0.708610D+01
      6  -0.670117D+01  0.931454D+00  0.385585D+01 -0.450492D+01  0.247851D+01
                56            57            58            59            60 
      1   0.120786D+02  0.206800D+01  0.679213D+02  0.345653D+01 -0.430267D+01
      2  -0.270332D+01 -0.610238D-01 -0.162113D+02  0.297495D+02  0.825059D+00
      3  -0.937527D+01 -0.200698D+01 -0.517101D+02 -0.332060D+02  0.347761D+01
      4   0.254892D+02  0.454680D+01  0.734596D+02  0.801595D+02  0.552602D+01
      5   0.572587D+01  0.125326D+02  0.103209D+02  0.116152D+02  0.158394D+02
      6   0.161048D+01  0.207587D+01  0.852320D+01  0.655899D+01  0.147004D+02
                61            62            63            64            65 
      1   0.172639D+02  0.338692D+01 -0.379502D+00 -0.275728D+02  0.239506D+02
      2  -0.627426D+01 -0.954344D+00 -0.616311D-01  0.111240D+02 -0.221747D+02
      3  -0.109896D+02 -0.243257D+01  0.441133D+00  0.164488D+02 -0.177593D+01
      4   0.152018D+02  0.839887D+01  0.200673D+02  0.203290D+02  0.893631D+01
      5   0.210184D+02  0.199117D+02  0.996377D+01 -0.155314D+02  0.157943D+02
      6   0.922467D+01  0.136483D+02  0.633465D+01  0.105239D+02 -0.131373D+02
                66            67            68            69            70 
      1  -0.117471D+02  0.167930D+02  0.287406D+02  0.185082D+02 -0.189224D+02
      2  -0.385083D+01 -0.137871D+02 -0.254189D+02 -0.124186D+02 -0.260726D+01
      3   0.155979D+02 -0.300586D+01 -0.332164D+01 -0.608954D+01  0.215297D+02
      4   0.199468D+02  0.955163D+01  0.594789D+01 -0.693703D+01  0.251180D+02
      5  -0.182289D+02  0.172534D+02 -0.519063D+01 -0.108835D+02 -0.247695D+02
      6   0.574452D+01 -0.104362D+02 -0.172475D+01  0.300662D+01  0.765020D+01
                71            72            73            74            75 
      1   0.210078D+02 -0.236117D+02 -0.905091D+00 -0.141672D+02  0.204066D+02
      2  -0.124634D+02  0.232940D+02 -0.746312D+00  0.103482D+02 -0.118109D+02
      3  -0.854444D+01  0.317721D+00  0.165140D+01  0.381898D+01 -0.859572D+01
      4  -0.102650D+02  0.768953D+00 -0.129899D+02  0.140950D+01  0.311797D+01
      5  -0.525093D+01  0.273857D+02  0.107475D+02 -0.243442D+01 -0.198305D+02
      6   0.318864D+01 -0.531885D+01  0.419476D+01 -0.629744D+01 -0.685261D+01
                76            77            78            79            80 
      1  -0.178831D+02  0.111474D+02 -0.507019D+01  0.220469D+02  0.191330D+00
      2   0.170568D+02  0.257605D+01  0.412742D+01 -0.123569D+02  0.381487D+00
      3   0.826326D+00 -0.137234D+02  0.942774D+00 -0.969008D+01 -0.572818D+00
      4   0.888610D+01  0.339819D+02 -0.379878D+01 -0.168000D+01 -0.862207D+01
      5  -0.934333D+01  0.175515D+01 -0.122313D+02 -0.329976D+02 -0.162455D+02
      6  -0.300506D+01  0.751513D+00 -0.473483D+01 -0.135307D+02 -0.682605D+01
                81            82            83            84            85 
      1  -0.200168D+02 -0.163449D+02 -0.281984D+01 -0.136225D+02 -0.328428D+00
      2   0.134255D+02  0.141431D+02  0.769845D+01  0.130247D+02  0.355326D+01
      3   0.659133D+01  0.220178D+01 -0.487861D+01  0.597749D+00 -0.322483D+01
      4  -0.209786D+02 -0.117938D+01  0.944887D+01 -0.422402D+01  0.896771D+01
      5  -0.110203D+02 -0.671120D+01  0.200389D+01  0.127696D+01  0.520622D+01
      6  -0.898753D+01 -0.100112D+02  0.568219D+01  0.332725D+01  0.304919D+01
                86            87            88            89            90 
      1   0.109962D+02 -0.630086D+01 -0.158452D+02 -0.123558D+02  0.136887D+02
      2  -0.612075D+01  0.100812D+02  0.146768D+02  0.186777D+02 -0.155431D+02
      3  -0.487550D+01 -0.378029D+01  0.116838D+01 -0.632184D+01  0.185439D+01
      4  -0.201033D+01  0.118006D+02 -0.358765D+01  0.168646D+02 -0.113641D+01
      5   0.614940D+01 -0.230809D+01  0.324477D+01 -0.387697D+01  0.512178D+00
      6   0.175032D+02 -0.129353D+02  0.438518D+01 -0.180941D+02  0.255104D+01
                91            92            93            94            95 
      1  -0.263498D+02 -0.355484D+02 -0.333082D-01 -0.527258D+02 -0.141835D+02
      2   0.154547D+02  0.192478D+02  0.195677D+01  0.282173D+02  0.473834D+01
      3   0.108951D+02  0.163006D+02 -0.192346D+01  0.245085D+02  0.944512D+01
      4  -0.414623D+02  0.182303D+01  0.134761D+02 -0.171271D+02  0.265045D+02
      5  -0.567489D+01  0.147538D+02  0.137061D+02  0.164181D+02 -0.930013D+01
      6   0.628335D+01 -0.356314D+01 -0.570424D+01 -0.399576D+01  0.567047D+01
                96            97            98            99           100 
      1   0.141601D+02 -0.965766D+01  0.150550D+02  0.139137D+02  0.492154D+02
      2  -0.374751D+00  0.959378D-01  0.264229D+01 -0.460309D+01 -0.243765D+02
      3  -0.137854D+02  0.956172D+01 -0.176973D+02 -0.931062D+01 -0.248389D+02
      4  -0.967370D+01  0.167975D+02 -0.159746D+02  0.261803D+02  0.251594D+02
      5   0.215362D+02 -0.420843D+00  0.282157D+02  0.204996D+02 -0.212046D+02
      6  -0.533013D+01  0.237669D+01 -0.965954D+01 -0.829432D+01 -0.558460D+01
               101           102           103           104           105 
      1   0.101975D+02 -0.176447D+02  0.442477D+01  0.461125D+01  0.478475D-02
      2  -0.263366D+01  0.941834D+01 -0.388952D-01 -0.668393D+00 -0.149639D+01
      3  -0.756384D+01  0.822639D+01 -0.438588D+01 -0.394285D+01  0.149161D+01
      4   0.150802D+02 -0.818415D+01  0.117611D+02  0.553957D+01 -0.533388D+01
      5  -0.401113D+01  0.178822D+02 -0.202196D+01 -0.526232D+01  0.369139D+01
      6  -0.204726D+01  0.557162D+01 -0.239778D+01 -0.257419D+01  0.408444D+01
               106           107           108           109           110 
      1  -0.295481D+02 -0.351361D+01  0.150217D+02  0.192162D+02  0.776691D+01
      2   0.161192D+02 -0.848592D+00 -0.110949D+02 -0.107010D+02 -0.342274D+01
      3   0.134289D+02  0.436221D+01 -0.392683D+01 -0.851523D+01 -0.434417D+01
      4  -0.151459D+02 -0.118055D+02  0.123336D+02  0.166869D+02  0.108291D+02
      5   0.236563D+02  0.791219D+01 -0.192134D+02  0.150285D+02  0.675882D+01
      6   0.748923D+01  0.515046D+01 -0.641557D+01  0.696002D+01  0.436760D+01
               111           112           113           114           115 
      1   0.672400D+01  0.636018D+01 -0.137983D+01  0.297140D+00  0.148456D+02
      2  -0.474222D+01 -0.184336D+01  0.429465D+01  0.141893D+01 -0.109712D+02
      3  -0.198178D+01 -0.451682D+01 -0.291482D+01 -0.171607D+01 -0.387434D+01
      4   0.837753D+01  0.133165D+02  0.107655D+02  0.108618D+02  0.190668D+02
      5   0.169515D+02  0.745857D+01  0.945995D+01  0.948371D+01  0.296792D+02
      6   0.626878D+01  0.620152D+01  0.756154D+01  0.904460D+01  0.134962D+02
               116           117           118           119           120 
      1   0.120659D+01  0.629184D+01 -0.685708D+00 -0.202149D+00  0.141881D+01
      2   0.133992D+01 -0.124350D+02 -0.588960D+01  0.106087D+01  0.451977D+01
      3  -0.254651D+01  0.614313D+01  0.657531D+01 -0.858719D+00 -0.593858D+01
      4   0.192964D+02  0.193226D+02 -0.183641D+01  0.401450D+01 -0.427281D+00
      5   0.153503D+02  0.356852D+02 -0.942837D+01  0.647255D+00  0.121719D+02
      6   0.127412D+02  0.185044D+02 -0.389164D+00 -0.146207D+01  0.141828D+00
               121           122           123           124           125 
      1   0.562619D+01 -0.411721D+01 -0.234228D+01  0.842612D+01  0.395573D+00
      2  -0.139728D+01 -0.282640D+00 -0.107644D+01  0.619570D+01 -0.310051D+01
      3  -0.422891D+01  0.439985D+01  0.341873D+01 -0.146218D+02  0.270494D+01
      4   0.533982D+01  0.730580D+00 -0.302652D+01 -0.361591D+00 -0.394681D+01
      5   0.195168D+01 -0.306835D+01 -0.167301D+01  0.177890D+02 -0.174979D+01
      6  -0.160017D+01  0.145008D+01  0.668743D+01  0.190471D+01  0.491800D+01
               126           127           128           129           130 
      1  -0.228480D+02 -0.334904D+01  0.792657D+01  0.536518D+01  0.482868D+01
      2  -0.183143D+02  0.320029D+01 -0.102248D+02 -0.479996D+01 -0.563632D+01
      3   0.411623D+02  0.148755D+00  0.229825D+01 -0.565227D+00  0.807644D+00
      4  -0.102517D+01 -0.611745D+01  0.100905D+01  0.293221D+01  0.249412D+01
      5  -0.234824D+02  0.749469D-01 -0.328091D+00 -0.561674D+00 -0.184718D+00
      6  -0.875267D+00  0.598721D+01 -0.393445D+01 -0.604590D+01 -0.264280D+01
               131           132           133           134           135 
      1  -0.118272D+02 -0.433777D+01  0.887901D+01 -0.904832D+01 -0.127690D+02
      2   0.139591D+02  0.426653D+01 -0.609187D+01  0.103989D+02  0.830194D+01
      3  -0.213189D+01  0.712449D-01 -0.278715D+01 -0.135060D+01  0.446707D+01
      4  -0.794353D+00 -0.119281D+01  0.603775D+01 -0.682218D-01 -0.192125D+01
      5   0.415658D+00  0.115108D+01  0.265726D+00  0.182327D+01  0.335415D+01
      6   0.421619D+01  0.820724D+01 -0.505018D+01  0.108518D+02  0.124943D+02
               136           137           138           139           140 
      1  -0.136071D+01  0.380983D+01 -0.702930D+00  0.292330D+01 -0.311557D+02
      2   0.276488D+01 -0.247513D+01 -0.179234D+00 -0.543052D+00  0.416147D+02
      3  -0.140417D+01 -0.133470D+01  0.882163D+00 -0.238025D+01 -0.104590D+02
      4   0.427251D+01  0.721180D+01 -0.286780D+01  0.786882D+01  0.183856D+02
      5  -0.774317D+00 -0.272419D+01  0.335732D+01 -0.207815D+01 -0.805089D+01
      6  -0.313864D+01 -0.362483D+00 -0.672327D+00 -0.777449D+00 -0.257194D+02
               141           142           143           144           145 
      1   0.148502D+02 -0.690342D+00  0.215700D+02 -0.178808D+02 -0.731012D+01
      2  -0.162155D+02 -0.149806D+01 -0.232631D+02  0.126068D+02  0.615963D+01
      3   0.136532D+01  0.218840D+01  0.169304D+01  0.527397D+01  0.115049D+01
      4  -0.832998D+01 -0.469291D+01 -0.128794D+02  0.772219D+01  0.175350D+01
      5   0.549174D+01  0.299597D+01  0.850116D+01 -0.752317D+01 -0.308852D+01
      6   0.185107D+02  0.423442D-01  0.242827D+02 -0.207859D+02 -0.503923D+01
               146           147           148           149           150 
      1  -0.103431D+02  0.614417D+01 -0.810538D+01 -0.220041D+02  0.682382D+01
      2   0.116600D+02 -0.179569D+01  0.954364D+01  0.257846D+02 -0.178566D+01
      3  -0.131689D+01 -0.434847D+01 -0.143826D+01 -0.378045D+01 -0.503816D+01
      4  -0.822666D+00 -0.951979D+00  0.203476D+01 -0.823596D+01  0.244770D+01
      5  -0.417545D+01  0.225925D+01 -0.618031D+01 -0.249950D+01 -0.274975D+01
      6  -0.928955D+01  0.355696D+01 -0.609019D+01 -0.180099D+02  0.933717D+01
               151           152           153           154           155 
      1   0.141759D+01  0.526563D+00 -0.224427D+01 -0.680130D+01  0.277552D+01
      2   0.915034D-01  0.195975D+01  0.829131D+00 -0.182367D+01  0.292457D+01
      3  -0.150909D+01 -0.248632D+01  0.141514D+01  0.862498D+01 -0.570009D+01
      4  -0.106273D+01 -0.492053D+00 -0.610472D+00  0.278011D+01 -0.336138D+01
      5   0.283629D+01 -0.532531D+00  0.126758D+00 -0.255861D+01  0.829868D+00
      6   0.138679D+01  0.496957D+01 -0.168874D+01  0.251945D+01 -0.582766D+01
               156           157           158           159           160 
      1   0.968589D+01  0.475787D+01 -0.889528D+01 -0.998300D+01  0.552567D+01
      2   0.240124D+01  0.109457D+01  0.214224D+01 -0.428034D+01  0.140565D+01
      3  -0.120871D+02 -0.585244D+01  0.675304D+01  0.142633D+02 -0.693132D+01
      4  -0.303150D+01 -0.327471D+01  0.645237D+01  0.375078D+01 -0.321572D+01
      5   0.306531D+01  0.228468D+01 -0.730782D+00  0.372748D+01  0.555062D+01
      6  -0.264695D+01 -0.420776D+01  0.820658D+01  0.538991D+01 -0.318601D+01
               161           162           163           164           165 
      1  -0.586655D+01 -0.100625D+02  0.169920D+02 -0.142233D+01  0.343650D+01
      2  -0.220930D+01 -0.654856D+01 -0.180939D+02  0.275113D+01 -0.156624D+02
      3   0.807585D+01  0.166111D+02  0.110188D+01 -0.132880D+01  0.122259D+02
      4   0.299937D+01  0.330334D+01 -0.127248D+02  0.985358D+01 -0.963189D+01
      5  -0.467871D+00  0.201715D+01  0.328156D+02 -0.972001D+01  0.314394D+02
      6   0.604348D+01  0.411527D+01 -0.775268D+01  0.734723D+01 -0.945514D+01
               166           167           168           169           170 
      1  -0.797553D+00 -0.172717D+01  0.122303D+01  0.447861D+01  0.104178D+01
      2   0.152094D+01  0.485476D+00  0.386718D+00 -0.128507D+02  0.158680D+01
      3  -0.723391D+00  0.124169D+01 -0.160975D+01  0.837212D+01 -0.262858D+01
      4   0.678144D+01 -0.551937D+01  0.666537D+01 -0.796412D+01  0.641496D+01
      5  -0.542162D+01  0.673689D+01 -0.533244D+01  0.249295D+02 -0.794390D+01
      6   0.458366D+01 -0.559000D+01  0.754198D+01 -0.718010D+01  0.752941D+01
               171           172           173           174           175 
      1  -0.287168D+01  0.171322D+02 -0.164492D+01 -0.959907D+01  0.611983D+01
      2  -0.169536D+02 -0.123767D+02  0.589651D+00  0.105105D+02 -0.429654D+01
      3   0.198253D+02 -0.475550D+01  0.105527D+01 -0.911440D+00 -0.182328D+01
      4  -0.814726D+01 -0.516176D+01  0.344213D+01  0.692401D+00  0.908786D+00
      5   0.295599D+02 -0.143803D+02 -0.149883D+01  0.193545D+02 -0.697332D+01
      6  -0.103066D+02  0.254300D+01 -0.208560D+00 -0.523842D+01  0.267105D+00
               176           177           178           179           180 
      1  -0.179258D+01 -0.480901D+01 -0.151967D+02 -0.269074D+01  0.954993D+01
      2   0.925534D-01  0.731881D+01  0.150139D+02  0.519452D+01 -0.239488D+02
      3   0.170003D+01 -0.250980D+01  0.182813D+00 -0.250377D+01  0.143989D+02
      4   0.405226D+01 -0.462749D+01  0.446099D+01 -0.945550D+01 -0.348184D+01
      5  -0.490119D+01  0.979915D+01  0.269594D+02 -0.129963D-01 -0.456941D+02
      6  -0.493405D+00  0.168820D+01 -0.726154D+01  0.513170D+01  0.142691D+02
               181           182           183           184           185 
      1  -0.685494D+01 -0.182193D+02 -0.200414D+01 -0.141552D+02 -0.322850D+02
      2   0.695661D+01  0.200620D+02  0.216327D+01  0.956300D+01  0.446134D+02
      3  -0.101674D+00 -0.184265D+01 -0.159126D+00  0.459220D+01 -0.123284D+02
      4   0.377048D+00 -0.778174D+01 -0.337931D+01  0.585009D+01 -0.308243D+02
      5   0.275221D+01 -0.197967D+01 -0.115415D+01  0.101042D+01 -0.345639D+01
      6   0.753206D+00  0.574886D+01  0.430999D+01  0.199454D+01  0.122258D+02
               186           187           188           189           190 
      1  -0.664308D+01  0.214305D+00 -0.668455D+01 -0.317763D+01  0.638900D+02
      2   0.591725D+01  0.119796D+01  0.502002D+01  0.229255D+01 -0.267084D+02
      3   0.725830D+00 -0.141227D+01  0.166453D+01  0.885082D+00 -0.371816D+02
      4  -0.441892D+01 -0.202684D+01 -0.231733D+01 -0.370773D+01 -0.374791D+02
      5  -0.526359D+01  0.338864D+01 -0.378749D+01 -0.467810D+01  0.149298D+02
      6   0.895946D+01  0.489984D+00  0.798047D+01  0.423614D+01 -0.678840D+01
               191           192           193           194           195 
      1  -0.179448D+02  0.150967D+02 -0.107809D+02  0.478533D+01 -0.385862D+01
      2   0.358165D+01 -0.528231D+01  0.534263D+00  0.409190D+01  0.315240D+00
      3   0.143631D+02 -0.981438D+01  0.102466D+02 -0.887723D+01  0.354338D+01
      4   0.218214D+02 -0.965061D+01  0.176648D+02 -0.147954D+02  0.610263D+01
      5  -0.551492D+01  0.161723D+02 -0.430151D+01  0.445265D+01 -0.218480D+01
      6   0.347996D+01 -0.700769D+01  0.330058D+01 -0.154255D+01  0.322798D+01
               196           197           198           199           200 
      1   0.300144D+02 -0.887096D+01  0.130215D+02  0.523756D+00  0.310567D+00
      2  -0.114436D+02  0.587926D+00 -0.820318D+01 -0.100250D+01  0.890448D-01
      3  -0.185708D+02  0.828304D+01 -0.481831D+01  0.478747D+00 -0.399612D+00
      4  -0.213402D+02  0.159715D+02 -0.891830D+01  0.906648D+00  0.236843D+01
      5   0.185385D+02 -0.603529D+01  0.132209D+02  0.232168D+00  0.143597D+01
      6  -0.790180D+01  0.421226D+01 -0.653636D+01  0.227489D+01  0.463921D+00
               201           202           203           204           205 
      1   0.534630D+00  0.549779D+01 -0.171057D+02 -0.776974D+01  0.182152D+01
      2  -0.470117D+00 -0.329433D+01  0.159492D+02  0.313136D+01 -0.329632D+01
      3  -0.645129D-01 -0.220346D+01  0.115650D+01  0.463837D+01  0.147481D+01
      4   0.996491D+00  0.239307D+01  0.498587D+01  0.179695D+01  0.178593D+01
      5   0.159364D+01  0.123813D+01  0.256242D+01  0.240630D+01  0.186179D+01
      6   0.809431D+00 -0.583790D+00  0.112536D+02  0.746960D+01  0.196107D+01
               206           207           208           209           210 
      1  -0.521356D+01 -0.278538D+01  0.174332D+01 -0.395509D+01 -0.157698D+01
      2   0.233088D+01  0.126131D+01  0.878424D+00  0.234880D+01  0.706099D+00
      3   0.288268D+01  0.152408D+01 -0.262175D+01  0.160628D+01  0.870881D+00
      4   0.625981D+00  0.132225D+01 -0.317201D+01  0.354340D+01  0.128541D+01
      5   0.205016D+01  0.115525D+01 -0.210060D+01  0.954803D+00  0.561881D+00
      6   0.529819D+01  0.420849D+01  0.701411D+00 -0.949054D+00 -0.552538D-01
               211           212           213           214           215 
      1  -0.444546D+01 -0.145394D+02 -0.196916D+01 -0.320150D+01 -0.235097D+01
      2   0.106311D+01  0.208290D+02  0.238520D+01 -0.199510D+00  0.364672D+01
      3   0.338235D+01 -0.628967D+01 -0.416047D+00  0.340101D+01 -0.129574D+01
      4   0.646647D+01 -0.172869D+02 -0.314956D+01  0.372719D+01 -0.450696D+01
      5   0.172713D+01 -0.232017D+01 -0.271142D+01 -0.188846D+01 -0.165782D+01
      6  -0.116707D+01  0.105321D+01  0.430208D+01  0.191164D+01  0.254686D+01
               216           217           218           219           220 
      1  -0.295223D+01  0.156709D+02 -0.602370D+01  0.590374D+01 -0.205151D+02
      2   0.224878D+01 -0.539990D+01  0.109439D+01 -0.229606D+01  0.512802D+01
      3   0.703447D+00 -0.102710D+02  0.492931D+01 -0.360768D+01  0.153871D+02
      4  -0.228895D+01 -0.739629D+01  0.998758D+01 -0.632617D+01  0.298468D+02
      5  -0.116121D+01  0.663217D+01 -0.564515D+01  0.407317D+01 -0.527896D+01
      6   0.163573D+01 -0.288312D+01  0.867753D+00 -0.512314D+00  0.293231D+01
               221           222           223           224           225 
      1   0.850342D+01 -0.536929D+00  0.195316D+02 -0.618781D+01  0.127990D+01
      2   0.104879D+02 -0.461057D+01 -0.730992D+01 -0.352932D+01 -0.224782D+00
      3  -0.189913D+02  0.514750D+01 -0.122217D+02  0.971712D+01 -0.105512D+01
      4  -0.509845D+02  0.144204D+02 -0.172063D+02  0.261346D+02 -0.185951D+02
      5   0.156843D+02 -0.195531D+02  0.124197D+02 -0.199496D+02  0.166218D+02
      6  -0.687452D+01  0.742586D+01 -0.449775D+01  0.914725D+01 -0.656153D+01
               226           227           228           229           230 
      1   0.583071D+00 -0.594835D+00 -0.846470D+01 -0.731288D+01 -0.734439D+00
      2  -0.123692D+01 -0.264525D-01  0.205130D+01  0.341262D+01  0.166134D+01
      3   0.653850D+00  0.621287D+00  0.641339D+01  0.390026D+01 -0.926902D+00
      4   0.320235D+01 -0.190392D+01 -0.232121D+01  0.120382D+02 -0.195609D+02
      5  -0.194499D+01 -0.300772D+01 -0.323778D+01  0.305666D+01 -0.115809D+02
      6   0.168258D+01  0.233356D+01  0.226562D+01 -0.149526D+01  0.727796D+01
               231           232           233           234           235 
      1  -0.556257D+01 -0.190886D+02 -0.576634D+01 -0.119963D+02  0.971842D+02
      2   0.134673D+01  0.127671D+02  0.811708D-02 -0.912059D+01 -0.520387D+02
      3   0.421583D+01  0.632154D+01  0.575822D+01  0.211168D+02 -0.451455D+02
      4  -0.117493D+02  0.708953D+01 -0.156641D+02 -0.198844D+02  0.148758D+02
      5  -0.175258D+02  0.159532D+02 -0.214745D+02 -0.507500D+02 -0.120466D+02
      6   0.101563D+02 -0.375150D+01  0.120756D+02  0.165651D+02 -0.256104D+01
               236           237           238           239           240 
      1   0.192479D+02 -0.676947D+01  0.456209D+02  0.161671D+02 -0.471223D+01
      2  -0.115622D+02  0.507346D+01 -0.247395D+02 -0.730834D+01  0.286204D+01
      3  -0.768571D+01  0.169601D+01 -0.208814D+02 -0.885880D+01  0.185019D+01
      4   0.161454D+02 -0.240888D+01  0.191578D+02  0.141674D+02 -0.101674D+01
      5  -0.346233D+01  0.144765D+02 -0.737162D+01 -0.158311D+01  0.722263D+01
      6  -0.168046D+01 -0.993431D-01 -0.246286D+01 -0.235997D+01  0.199960D+01
               241           242           243 
      1  -0.240261D+01 -0.214023D+01  0.863806D+01
      2   0.268512D+01  0.776114D+00 -0.624205D+01
      3  -0.282516D+00  0.136411D+01 -0.239601D+01
      4  -0.189991D+01  0.646679D+00  0.984283D+00
      5   0.139050D+02  0.145746D+01 -0.534749D+01
      6   0.436361D+00  0.252955D+01  0.402552D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 22:33:01 2021, MaxMem=  5637144576 cpu:           31134.7 elap:            3902.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.90569 -10.12972 -10.06292 -10.06263 -10.05416
 Alpha  occ. eigenvalues --  -10.04590 -10.04298 -10.04209 -10.03957 -10.03181
 Alpha  occ. eigenvalues --  -10.03089  -1.12360  -0.97476  -0.89720  -0.85431
 Alpha  occ. eigenvalues --   -0.84514  -0.79413  -0.78219  -0.72078  -0.69420
 Alpha  occ. eigenvalues --   -0.63514  -0.61673  -0.59336  -0.57524  -0.56483
 Alpha  occ. eigenvalues --   -0.54916  -0.54318  -0.52691  -0.51776  -0.50684
 Alpha  occ. eigenvalues --   -0.48576  -0.48437  -0.47770  -0.46369  -0.45997
 Alpha  occ. eigenvalues --   -0.44798  -0.42836  -0.41356  -0.40551  -0.38974
 Alpha  occ. eigenvalues --   -0.35487  -0.33976
 Alpha virt. eigenvalues --    0.01366   0.02823   0.03363   0.03824   0.04192
 Alpha virt. eigenvalues --    0.05084   0.05400   0.05591   0.06041   0.06265
 Alpha virt. eigenvalues --    0.07201   0.07524   0.07893   0.08709   0.09147
 Alpha virt. eigenvalues --    0.09273   0.09984   0.10976   0.11932   0.12336
 Alpha virt. eigenvalues --    0.12438   0.12982   0.13174   0.13316   0.13902
 Alpha virt. eigenvalues --    0.14475   0.14736   0.15010   0.15309   0.15694
 Alpha virt. eigenvalues --    0.15890   0.16196   0.16757   0.16950   0.17284
 Alpha virt. eigenvalues --    0.17499   0.18032   0.18752   0.19111   0.19283
 Alpha virt. eigenvalues --    0.19541   0.19777   0.20278   0.20743   0.21023
 Alpha virt. eigenvalues --    0.21255   0.22040   0.22363   0.22890   0.23234
 Alpha virt. eigenvalues --    0.23754   0.24520   0.24999   0.25421   0.25693
 Alpha virt. eigenvalues --    0.26149   0.26784   0.27640   0.28358   0.28706
 Alpha virt. eigenvalues --    0.29032   0.29453   0.29909   0.30757   0.31166
 Alpha virt. eigenvalues --    0.31837   0.32043   0.32238   0.33014   0.33325
 Alpha virt. eigenvalues --    0.33846   0.34712   0.34944   0.36225   0.36262
 Alpha virt. eigenvalues --    0.36795   0.37084   0.37408   0.38016   0.38915
 Alpha virt. eigenvalues --    0.39170   0.39948   0.40066   0.40812   0.41500
 Alpha virt. eigenvalues --    0.41803   0.42482   0.42842   0.43261   0.43867
 Alpha virt. eigenvalues --    0.44297   0.44666   0.45028   0.45278   0.46001
 Alpha virt. eigenvalues --    0.46613   0.46871   0.47413   0.48195   0.48531
 Alpha virt. eigenvalues --    0.49090   0.49678   0.50046   0.50445   0.50887
 Alpha virt. eigenvalues --    0.51482   0.52462   0.52887   0.53179   0.53610
 Alpha virt. eigenvalues --    0.54182   0.55347   0.56180   0.56476   0.56987
 Alpha virt. eigenvalues --    0.57227   0.58056   0.59153   0.59682   0.60125
 Alpha virt. eigenvalues --    0.60840   0.60887   0.61077   0.61980   0.62091
 Alpha virt. eigenvalues --    0.62517   0.63141   0.63652   0.63983   0.64272
 Alpha virt. eigenvalues --    0.64677   0.64821   0.65605   0.66115   0.66314
 Alpha virt. eigenvalues --    0.67270   0.68176   0.68886   0.69862   0.70097
 Alpha virt. eigenvalues --    0.70428   0.71015   0.71768   0.71842   0.72235
 Alpha virt. eigenvalues --    0.73164   0.73493   0.73961   0.74509   0.74991
 Alpha virt. eigenvalues --    0.75772   0.76182   0.76651   0.76949   0.77655
 Alpha virt. eigenvalues --    0.78536   0.79000   0.79498   0.80123   0.80700
 Alpha virt. eigenvalues --    0.81279   0.81614   0.82331   0.82608   0.83323
 Alpha virt. eigenvalues --    0.84195   0.85508   0.86199   0.86833   0.87184
 Alpha virt. eigenvalues --    0.87532   0.88919   0.89318   0.89999   0.90964
 Alpha virt. eigenvalues --    0.91370   0.92354   0.93855   0.94303   0.94907
 Alpha virt. eigenvalues --    0.96396   0.97282   0.97704   0.99141   0.99441
 Alpha virt. eigenvalues --    1.01337   1.01628   1.02735   1.03959   1.05354
 Alpha virt. eigenvalues --    1.06021   1.06360   1.07348   1.09156   1.09881
 Alpha virt. eigenvalues --    1.11001   1.11460   1.11814   1.12461   1.14543
 Alpha virt. eigenvalues --    1.15698   1.16847   1.19153   1.19478   1.20908
 Alpha virt. eigenvalues --    1.21322   1.24160   1.25180   1.26882   1.28141
 Alpha virt. eigenvalues --    1.29264   1.30587   1.31467   1.32213   1.33265
 Alpha virt. eigenvalues --    1.34988   1.37377   1.39643   1.40574   1.41348
 Alpha virt. eigenvalues --    1.44007   1.44954   1.46197   1.47334   1.48948
 Alpha virt. eigenvalues --    1.51488   1.52330   1.54058   1.55228   1.56142
 Alpha virt. eigenvalues --    1.56554   1.58217   1.58441   1.59244   1.60812
 Alpha virt. eigenvalues --    1.62059   1.63255   1.64151   1.65597   1.66072
 Alpha virt. eigenvalues --    1.66586   1.68247   1.69185   1.69577   1.71387
 Alpha virt. eigenvalues --    1.71655   1.72722   1.73680   1.74736   1.76184
 Alpha virt. eigenvalues --    1.76453   1.77309   1.79196   1.79854   1.81087
 Alpha virt. eigenvalues --    1.83266   1.84251   1.84359   1.84686   1.85854
 Alpha virt. eigenvalues --    1.87403   1.88132   1.88664   1.89545   1.90384
 Alpha virt. eigenvalues --    1.91284   1.93272   1.94333   1.96503   1.97917
 Alpha virt. eigenvalues --    1.99310   2.00972   2.02108   2.02744   2.03887
 Alpha virt. eigenvalues --    2.05033   2.06886   2.07247   2.08528   2.09301
 Alpha virt. eigenvalues --    2.11388   2.12023   2.12465   2.14077   2.14729
 Alpha virt. eigenvalues --    2.15742   2.16969   2.17248   2.19170   2.19797
 Alpha virt. eigenvalues --    2.20751   2.22106   2.23650   2.24556   2.25252
 Alpha virt. eigenvalues --    2.26856   2.27850   2.28404   2.30030   2.30993
 Alpha virt. eigenvalues --    2.31875   2.34041   2.35346   2.36365   2.38505
 Alpha virt. eigenvalues --    2.39807   2.41455   2.42683   2.44091   2.46069
 Alpha virt. eigenvalues --    2.47585   2.47996   2.50462   2.52159   2.52996
 Alpha virt. eigenvalues --    2.55259   2.56280   2.57184   2.59031   2.59990
 Alpha virt. eigenvalues --    2.61704   2.64114   2.65729   2.67156   2.67730
 Alpha virt. eigenvalues --    2.68514   2.71092   2.72278   2.72838   2.73465
 Alpha virt. eigenvalues --    2.76098   2.79750   2.82177   2.83760   2.84895
 Alpha virt. eigenvalues --    2.90313   2.93317   2.94208   2.95809   3.01396
 Alpha virt. eigenvalues --    3.08741   3.09920   3.12706   3.16894   3.27197
 Alpha virt. eigenvalues --    3.34800   3.41839   3.47873   3.50802   3.59366
 Alpha virt. eigenvalues --    3.65468   3.76813   3.89723   4.00092   5.12173
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.605651  -0.370684   0.012442  -0.616885   0.208983  -0.009608
     2  C   -0.370684  10.061693  -3.713937   1.983396  -0.726957   0.055490
     3  C    0.012442  -3.713937  19.273648  -6.768132  -0.048186  -0.810512
     4  C   -0.616885   1.983396  -6.768132  19.309821  -5.452928  -1.148322
     5  C    0.208983  -0.726957  -0.048186  -5.452928  14.029261  -1.787220
     6  C   -0.009608   0.055490  -0.810512  -1.148322  -1.787220   9.254591
     7  O   -0.001218   0.006645  -0.030495   0.065555  -0.015488   0.175077
     8  C   -0.267133  -0.127285  -0.265351  -0.098954  -0.054726   0.020420
     9  C   -0.350373  -1.538770   1.748148  -0.543517   0.038961  -0.047469
    10  C    0.088203   1.161456  -2.080360   0.203388  -0.630774  -0.078749
    11  C    0.009047  -0.019016   0.069456  -0.347659   0.050282   0.162072
    12  H    0.093999   0.285730  -0.087594   0.034511   0.045005   0.003966
    13  H   -0.032021  -0.199977   0.260606  -0.038189  -0.012606  -0.002703
    14  H    0.125432   0.565676  -2.300715   0.497818   0.231331  -0.029203
    15  H    0.074306   0.335463  -0.187871  -0.466111   0.109493  -0.017125
    16  H   -0.070333  -0.256414   0.411913   0.410145  -0.008388   0.014604
    17  H    0.184380   0.015079  -0.341192  -0.064288   0.140533  -0.003856
    18  H   -0.095809   0.641487   0.014424  -0.110342   0.006958  -0.020023
    19  H    0.277902  -0.270976   0.215568   0.017145   0.018808   0.013390
    20  H   -0.033422   0.402623  -0.339224   0.175645  -0.001332   0.005668
    21  H   -0.039029   0.125735  -0.013463  -0.013385  -0.030343  -0.006426
    22  H    0.043729  -0.264694   0.236366  -0.087732   0.010433  -0.000045
    23  H   -0.000013  -0.315555   0.577907  -2.156478   0.371807   0.094933
    24  H    0.007030   0.152266  -0.818087   0.314206  -1.771715   0.292415
    25  H   -0.001449   0.000226  -0.005844   0.015833  -0.120969   0.011485
    26  H    0.000728   0.000906   0.002897  -0.006628  -0.078609   0.005992
    27  H    0.000823  -0.001794   0.001225  -0.017321   0.274533  -0.083648
               7          8          9         10         11         12
     1  C   -0.001218  -0.267133  -0.350373   0.088203   0.009047   0.093999
     2  C    0.006645  -0.127285  -1.538770   1.161456  -0.019016   0.285730
     3  C   -0.030495  -0.265351   1.748148  -2.080360   0.069456  -0.087594
     4  C    0.065555  -0.098954  -0.543517   0.203388  -0.347659   0.034511
     5  C   -0.015488  -0.054726   0.038961  -0.630774   0.050282   0.045005
     6  C    0.175077   0.020420  -0.047469  -0.078749   0.162072   0.003966
     7  O    8.489217  -0.003608   0.001075   0.005414  -0.076522  -0.000025
     8  C   -0.003608   5.638912  -0.236974   0.028881  -0.000703  -0.243139
     9  C    0.001075  -0.236974   7.580323  -0.947856  -0.005445  -0.524163
    10  C    0.005414   0.028881  -0.947856   7.793961  -0.046474   0.016361
    11  C   -0.076522  -0.000703  -0.005445  -0.046474   5.073161   0.000067
    12  H   -0.000025  -0.243139  -0.524163   0.016361   0.000067   2.593030
    13  H    0.000098   0.104247  -0.332652   0.067872  -0.000090  -0.680133
    14  H    0.005461  -0.031944  -0.420760   0.210928   0.002309   0.021514
    15  H   -0.000473   0.039515  -0.185501  -0.392957   0.005553   0.209155
    16  H    0.000409   0.015686   0.187394  -0.618854  -0.002772  -0.230078
    17  H   -0.002299  -0.050014   0.016625   0.135287   0.002971  -0.004851
    18  H   -0.000435  -0.022870  -0.160176  -0.063281  -0.007447   0.009584
    19  H    0.000367   0.046132   0.016611  -0.113857   0.001522   0.032995
    20  H   -0.000259  -0.026277  -0.110054   0.134908   0.000213  -0.022880
    21  H   -0.000740   0.394809  -0.081162  -0.004686   0.000361  -0.006961
    22  H   -0.000022   0.124364   0.165414  -0.058183  -0.000410  -0.026743
    23  H   -0.055172  -0.000646   0.141262  -0.122495   0.003058   0.009096
    24  H   -0.055548   0.019710  -0.064233   0.285108  -0.226021   0.000280
    25  H    0.021061  -0.000250  -0.000386  -0.006779   0.444553   0.000219
    26  H    0.023418  -0.000269  -0.000283  -0.011231   0.405972  -0.000160
    27  H   -0.011619   0.000366  -0.000226   0.004837   0.031978  -0.000017
              13         14         15         16         17         18
     1  C   -0.032021   0.125432   0.074306  -0.070333   0.184380  -0.095809
     2  C   -0.199977   0.565676   0.335463  -0.256414   0.015079   0.641487
     3  C    0.260606  -2.300715  -0.187871   0.411913  -0.341192   0.014424
     4  C   -0.038189   0.497818  -0.466111   0.410145  -0.064288  -0.110342
     5  C   -0.012606   0.231331   0.109493  -0.008388   0.140533   0.006958
     6  C   -0.002703  -0.029203  -0.017125   0.014604  -0.003856  -0.020023
     7  O    0.000098   0.005461  -0.000473   0.000409  -0.002299  -0.000435
     8  C    0.104247  -0.031944   0.039515   0.015686  -0.050014  -0.022870
     9  C   -0.332652  -0.420760  -0.185501   0.187394   0.016625  -0.160176
    10  C    0.067872   0.210928  -0.392957  -0.618854   0.135287  -0.063281
    11  C   -0.000090   0.002309   0.005553  -0.002772   0.002971  -0.007447
    12  H   -0.680133   0.021514   0.209155  -0.230078  -0.004851   0.009584
    13  H    2.546252  -0.001459  -0.307534   0.152012   0.019791  -0.027223
    14  H   -0.001459   2.842069   0.156601  -0.207873   0.011648   0.009522
    15  H   -0.307534   0.156601   3.009477  -0.680492   0.003023   0.007036
    16  H    0.152012  -0.207873  -0.680492   2.346506   0.004537  -0.012324
    17  H    0.019791   0.011648   0.003023   0.004537   2.058995  -0.472008
    18  H   -0.027223   0.009522   0.007036  -0.012324  -0.472008   1.997528
    19  H   -0.056205   0.008914   0.008800  -0.006829  -0.527257  -0.482011
    20  H    0.009341  -0.053819   0.004698   0.012045   0.014275  -0.027316
    21  H    0.000493  -0.005215   0.002911  -0.003178  -0.057733   0.016922
    22  H    0.024473   0.023752  -0.010152   0.002998   0.021221   0.006953
    23  H   -0.003021  -0.120599  -0.018548   0.007601   0.040748  -0.010391
    24  H    0.001099  -0.026056  -0.058479  -0.000468   0.009784  -0.031357
    25  H   -0.000216   0.001093   0.002846  -0.000306  -0.000004  -0.000059
    26  H   -0.000017   0.000381  -0.003397   0.000888  -0.001103   0.001023
    27  H    0.000076  -0.000552   0.000792   0.000166   0.001210  -0.001043
              19         20         21         22         23         24
     1  C    0.277902  -0.033422  -0.039029   0.043729  -0.000013   0.007030
     2  C   -0.270976   0.402623   0.125735  -0.264694  -0.315555   0.152266
     3  C    0.215568  -0.339224  -0.013463   0.236366   0.577907  -0.818087
     4  C    0.017145   0.175645  -0.013385  -0.087732  -2.156478   0.314206
     5  C    0.018808  -0.001332  -0.030343   0.010433   0.371807  -1.771715
     6  C    0.013390   0.005668  -0.006426  -0.000045   0.094933   0.292415
     7  O    0.000367  -0.000259  -0.000740  -0.000022  -0.055172  -0.055548
     8  C    0.046132  -0.026277   0.394809   0.124364  -0.000646   0.019710
     9  C    0.016611  -0.110054  -0.081162   0.165414   0.141262  -0.064233
    10  C   -0.113857   0.134908  -0.004686  -0.058183  -0.122495   0.285108
    11  C    0.001522   0.000213   0.000361  -0.000410   0.003058  -0.226021
    12  H    0.032995  -0.022880  -0.006961  -0.026743   0.009096   0.000280
    13  H   -0.056205   0.009341   0.000493   0.024473  -0.003021   0.001099
    14  H    0.008914  -0.053819  -0.005215   0.023752  -0.120599  -0.026056
    15  H    0.008800   0.004698   0.002911  -0.010152  -0.018548  -0.058479
    16  H   -0.006829   0.012045  -0.003178   0.002998   0.007601  -0.000468
    17  H   -0.527257   0.014275  -0.057733   0.021221   0.040748   0.009784
    18  H   -0.482011  -0.027316   0.016922   0.006953  -0.010391  -0.031357
    19  H    1.999337   0.016067   0.005490  -0.018644  -0.000547   0.006816
    20  H    0.016067   1.904638  -0.413405  -0.408659   0.024608   0.004431
    21  H    0.005490  -0.413405   1.547758  -0.308937  -0.042386  -0.003885
    22  H   -0.018644  -0.408659  -0.308937   1.618117  -0.005730   0.002536
    23  H   -0.000547   0.024608  -0.042386  -0.005730   3.289062   0.214740
    24  H    0.006816   0.004431  -0.003885   0.002536   0.214740   3.935784
    25  H   -0.000139  -0.000002   0.000060  -0.000052  -0.009345  -0.078389
    26  H    0.000209  -0.000002  -0.000079  -0.000004  -0.005715  -0.078283
    27  H    0.000096   0.000050  -0.000087   0.000019   0.008833   0.018563
              25         26         27
     1  C   -0.001449   0.000728   0.000823
     2  C    0.000226   0.000906  -0.001794
     3  C   -0.005844   0.002897   0.001225
     4  C    0.015833  -0.006628  -0.017321
     5  C   -0.120969  -0.078609   0.274533
     6  C    0.011485   0.005992  -0.083648
     7  O    0.021061   0.023418  -0.011619
     8  C   -0.000250  -0.000269   0.000366
     9  C   -0.000386  -0.000283  -0.000226
    10  C   -0.006779  -0.011231   0.004837
    11  C    0.444553   0.405972   0.031978
    12  H    0.000219  -0.000160  -0.000017
    13  H   -0.000216  -0.000017   0.000076
    14  H    0.001093   0.000381  -0.000552
    15  H    0.002846  -0.003397   0.000792
    16  H   -0.000306   0.000888   0.000166
    17  H   -0.000004  -0.001103   0.001210
    18  H   -0.000059   0.001023  -0.001043
    19  H   -0.000139   0.000209   0.000096
    20  H   -0.000002  -0.000002   0.000050
    21  H    0.000060  -0.000079  -0.000087
    22  H   -0.000052  -0.000004   0.000019
    23  H   -0.009345  -0.005715   0.008833
    24  H   -0.078389  -0.078283   0.018563
    25  H    1.088943  -0.149825  -0.197142
    26  H   -0.149825   1.111115  -0.195577
    27  H   -0.197142  -0.195577   1.376105
 Mulliken charges:
               1
     1  C    1.155321
     2  C   -1.987815
     3  C    0.986362
     4  C    0.909409
     5  C    1.203853
     6  C   -0.065192
     7  O   -0.539875
     8  C    0.997104
     9  C    1.654188
    10  C    1.039931
    11  C    0.469985
    12  H   -0.528769
    13  H   -0.492313
    14  H   -0.516252
    15  H   -0.641031
    16  H   -0.468593
    17  H   -0.155503
    18  H   -0.167322
    19  H   -0.209704
    20  H   -0.272560
    21  H   -0.063440
    22  H   -0.090368
    23  H   -0.917013
    24  H   -1.052247
    25  H   -0.015162
    26  H   -0.022347
    27  H   -0.210646
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.622792
     2  C   -1.987815
     3  C    0.470109
     4  C   -0.007603
     5  C    0.151606
     6  C   -0.065192
     7  O   -0.539875
     8  C    0.570736
     9  C    0.633106
    10  C   -0.069693
    11  C    0.221830
 Electronic spatial extent (au):  <R**2>=           2456.9784
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.8094    Y=              2.5256    Z=              0.4860  Tot=              3.1446
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -70.3909   YY=            -72.0643   ZZ=            -68.5730
   XY=             -9.1128   XZ=             -3.1023   YZ=             -0.3465
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0482   YY=             -1.7216   ZZ=              1.7697
   XY=             -9.1128   XZ=             -3.1023   YZ=             -0.3465
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -8.1682  YYY=              1.9049  ZZZ=             -1.2475  XYY=              6.7180
  XXY=             27.0313  XXZ=              8.3240  XZZ=             -0.7034  YZZ=              0.3326
  YYZ=              0.4831  XYZ=              1.0144
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2496.1348 YYYY=           -548.7992 ZZZZ=           -306.0992 XXXY=            -77.4749
 XXXZ=            -21.8132 YYYX=            -10.5113 YYYZ=             -2.3295 ZZZX=             -4.2574
 ZZZY=              4.1188 XXYY=           -555.3423 XXZZ=           -462.8799 YYZZ=           -139.5816
 XXYZ=            -15.3983 YYXZ=             -2.8155 ZZXY=              4.4979
 N-N= 6.110483324992D+02 E-N=-2.302630052149D+03  KE= 4.620973465728D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 22:33:01 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.53203215D-01 9.76112432D-01 1.78417530D-01
 Polarizability= 1.57753060D+02-3.27875141D+00 1.14652483D+02
                -5.16231534D+00 2.28516577D+00 9.73254217D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.8455    2.8456       -1.6811   -1.6827
 2     -2.8455   -2.8456       -1.1623   -1.1623      -23.9492  -23.9500
 3      1.6811    1.6827       32.7100   32.7089        1.1623    1.1623
 4      1.1623    1.1623        0.0000    0.0000        1.6829    1.6827
 5     -8.7609   -8.7589       -1.6829   -1.6827        2.8435    2.8456
 6     -1.1623   -1.1623       -2.8435   -2.8456       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -8.5367   -8.5367       -5.0481   -5.0481
 2      3.4869    3.4869        0.0000    0.0000       -5.0481   -5.0481
 3      3.4869    3.4869       -8.5367   -8.5367       -0.0000    0.0000
 4     -8.5367   -8.5367       -3.4869   -3.4869      -71.8499  -71.8499
 5      5.0481    5.0481       98.1266   98.1266        3.4869    3.4869
 6    -26.2767  -26.2767       -5.0481   -5.0481        8.5367    8.5367
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0437    0.0000      -11.4114  -11.3822        6.7681    6.7309
 2     11.4026   11.3822        4.6304    4.6491       95.8278   95.7998
 3     -6.7542   -6.7309     -130.8943 -130.8355       -4.6166   -4.6491
 4     -4.6443   -4.6491        0.0040    0.0000       -6.7197   -6.7309
 5     35.0520   35.0357        6.7465    6.7309      -11.3999  -11.3822
 6      4.6210    4.6491       11.3739   11.3822        0.0014    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0034    0.0000       14.9318   14.9374      -40.7888  -40.7902
 2    -14.9113  -14.9374       18.5175   18.4155       20.4274   20.4370
 3     40.8416   40.7902       26.3881   26.4597      -18.4336  -18.4155
 4    -18.4564  -18.4155       -0.0177    0.0000       40.8168   40.7902
 5    -46.8952  -46.8968      -40.8218  -40.7902       15.0059   14.9374
 6     18.4092   18.4155      -14.9217  -14.9374       -0.0092    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -34.3439  -34.4087        6.3266    6.3022       33.3743   33.3968
 2    -55.3034  -55.3376        6.2886    6.3097       33.3711   33.3968
 3    -55.3274  -55.3376        6.2841    6.3022       54.2123   54.2079
 4      0.0665   -0.0075       21.0992   20.9289       37.5669   37.5756
 5     20.8209   20.8111       47.1521   47.1718      -20.9065  -20.9289
 6    -84.7662  -84.7475      -20.8475  -20.8111        0.0179    0.0075
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.4119   -2.6292   -0.0003   -0.0001    0.0004    2.7054
 Low frequencies ---   34.3208   71.7474   83.5721
 Diagonal vibrational polarizability:
       22.6689464       8.5513366      79.6013259
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.3092                71.7449                83.5719
 Red. masses --      3.4219                 4.0592                 2.9550
 Frc consts  --      0.0024                 0.0123                 0.0122
 IR Inten    --      3.6320                 1.0936                 0.7133
 RamAct Fr= 1--      1.2456                 0.8973                 0.1514
  Dep-P Fr= 1--      0.7469                 0.6468                 0.6235
  Dep-U Fr= 1--      0.8551                 0.7855                 0.7681
 Alpha2 Fr= 1--      0.0001                 0.0017                 0.0003
 Beta2  Fr= 1--      0.1775                 0.1175                 0.0194
 AlphaG Fr= 1--      0.0000                -0.0162                 0.0009
 Gamma2 Fr= 1--      0.8275                 0.0473                -0.2124
 Delta2 Fr= 1--      0.4586                 0.2446                -0.1132
 Raman1 Fr= 1--       4.983                  3.589                  0.606
 ROA1   Fr= 1--      94.115                 12.372                -24.012
 CID1   Fr= 1--      18.889                  3.447                -39.651
 Raman2 Fr= 1--       2.130                  1.410                  0.233
 ROA2   Fr= 1--      16.192                 -0.821                 -4.192
 CID2   Fr= 1--       7.601                 -0.583                -18.026
 Raman3 Fr= 1--       4.261                  2.819                  0.465
 ROA3   Fr= 1--      94.115                 12.372                -24.012
 CID3   Fr= 1--      22.089                  4.388                -51.621
 RC180  Fr= 1--       0.710                  0.571                  0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.10   0.03     0.25   0.04   0.08    -0.04  -0.12  -0.04
     2   6    -0.03   0.01   0.03     0.08   0.01   0.01     0.01  -0.00   0.01
     3   6     0.02  -0.01  -0.05    -0.03  -0.08   0.10     0.01  -0.08  -0.05
     4   6     0.01   0.01  -0.08    -0.02  -0.11   0.15     0.01  -0.09  -0.05
     5   6     0.03  -0.01  -0.00    -0.03  -0.06   0.05     0.02  -0.04  -0.09
     6   6     0.02  -0.01  -0.01    -0.08   0.02  -0.06     0.00   0.03   0.01
     7   8    -0.02   0.04  -0.22    -0.17   0.07  -0.19    -0.09   0.03   0.05
     8   6    -0.03  -0.04   0.12     0.08   0.03  -0.03     0.17   0.12   0.02
     9   6    -0.00   0.00  -0.03     0.01   0.04  -0.11    -0.11   0.05   0.10
    10   6     0.02   0.00  -0.10    -0.07  -0.05   0.03    -0.09  -0.04  -0.07
    11   6     0.09  -0.08   0.27    -0.03   0.06  -0.01     0.09   0.11   0.07
    12   1     0.02  -0.05  -0.01    -0.08   0.05  -0.20    -0.01   0.12   0.22
    13   1    -0.02   0.04  -0.03     0.11   0.10  -0.16    -0.28   0.06   0.16
    14   1     0.06  -0.06  -0.03    -0.10  -0.08   0.08     0.03  -0.10  -0.04
    15   1     0.00   0.05  -0.13     0.00  -0.08   0.09    -0.19  -0.03  -0.15
    16   1     0.06  -0.03  -0.13    -0.20  -0.06   0.02    -0.04  -0.08  -0.10
    17   1    -0.11   0.11   0.06     0.29   0.00   0.18     0.06  -0.18  -0.13
    18   1    -0.09   0.14  -0.03     0.25   0.02   0.11    -0.16  -0.20  -0.06
    19   1    -0.12   0.12   0.08     0.32   0.11   0.01    -0.07  -0.05   0.01
    20   1     0.02  -0.11   0.12    -0.04   0.01  -0.08     0.21   0.21   0.06
    21   1    -0.04  -0.04   0.16     0.13  -0.01   0.08     0.29   0.06  -0.06
    22   1    -0.06  -0.03   0.17     0.17   0.12  -0.11     0.16   0.20   0.07
    23   1    -0.02   0.03  -0.16    -0.02  -0.12   0.19     0.01  -0.11   0.02
    24   1     0.05  -0.04   0.10    -0.01  -0.05   0.02     0.06  -0.03  -0.16
    25   1     0.05   0.06   0.46     0.09   0.17   0.10     0.09   0.10   0.05
    26   1     0.19  -0.30   0.34    -0.06  -0.10   0.07     0.20   0.14   0.03
    27   1     0.08  -0.08   0.24    -0.09   0.14  -0.15     0.06   0.17   0.17
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.1245               135.9243               160.5915
 Red. masses --      1.1129                 2.3787                 2.6932
 Frc consts  --      0.0087                 0.0259                 0.0409
 IR Inten    --      0.0082                 0.1649                 1.1201
 RamAct Fr= 1--      0.3821                 0.8830                 0.4965
  Dep-P Fr= 1--      0.7474                 0.7226                 0.6288
  Dep-U Fr= 1--      0.8555                 0.8390                 0.7721
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0011
 Beta2  Fr= 1--      0.0545                 0.1235                 0.0639
 AlphaG Fr= 1--     -0.0002                 0.0043                -0.0019
 Gamma2 Fr= 1--      0.0892                -0.1309                 0.6528
 Delta2 Fr= 1--      0.0080                 0.1226                 0.0303
 Raman1 Fr= 1--       1.528                  3.532                  1.986
 ROA1   Fr= 1--       8.822                 -8.644                 63.639
 CID1   Fr= 1--       5.773                 -2.447                 32.041
 Raman2 Fr= 1--       0.654                  1.482                  0.767
 ROA2   Fr= 1--       2.078                 -4.122                 15.426
 CID2   Fr= 1--       3.179                 -2.782                 20.118
 Raman3 Fr= 1--       1.307                  2.963                  1.533
 ROA3   Fr= 1--       8.822                 -8.644                 63.639
 CID3   Fr= 1--       6.748                 -2.917                 41.500
 RC180  Fr= 1--       0.711                  0.678                  0.544
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01    -0.04   0.02  -0.02    -0.01   0.09   0.00
     2   6     0.01  -0.00   0.01    -0.01   0.01  -0.01     0.00   0.02  -0.02
     3   6    -0.00   0.00   0.02     0.00   0.00  -0.04     0.01   0.04  -0.00
     4   6    -0.00   0.00   0.02     0.00  -0.01  -0.07     0.04  -0.06  -0.13
     5   6    -0.02   0.02  -0.05     0.08  -0.11   0.27     0.03  -0.09  -0.12
     6   6    -0.01   0.00  -0.01     0.02  -0.03   0.07     0.02  -0.04  -0.03
     7   8    -0.01   0.01  -0.04    -0.04   0.01  -0.05    -0.07  -0.04   0.06
     8   6    -0.01  -0.01  -0.00     0.02   0.01   0.02    -0.06  -0.05   0.01
     9   6     0.01  -0.00  -0.00    -0.02   0.01  -0.02     0.01   0.02  -0.04
    10   6     0.00  -0.00   0.02    -0.02  -0.00  -0.02    -0.09   0.00   0.21
    11   6    -0.00  -0.02   0.04     0.02   0.06  -0.08     0.12   0.08   0.01
    12   1    -0.00  -0.00  -0.02    -0.02   0.02  -0.02    -0.15   0.06  -0.20
    13   1     0.03  -0.01  -0.01    -0.02   0.02  -0.02     0.19  -0.02  -0.10
    14   1    -0.01   0.01   0.02     0.03   0.02  -0.03     0.10   0.21   0.00
    15   1     0.01  -0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.24   0.35
    16   1    -0.01   0.00   0.02    -0.03   0.01  -0.01    -0.25   0.16   0.37
    17   1     0.02   0.00   0.02    -0.05   0.03  -0.03    -0.05   0.12   0.04
    18   1     0.03   0.00   0.02    -0.05   0.03  -0.04     0.03   0.14  -0.02
    19   1     0.03   0.00   0.00    -0.06   0.03  -0.00    -0.01   0.08  -0.00
    20   1    -0.02  -0.01  -0.01     0.03  -0.00   0.02    -0.05  -0.10   0.00
    21   1    -0.01  -0.00   0.00     0.03  -0.00   0.03    -0.12  -0.02   0.05
    22   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.07  -0.08   0.02
    23   1     0.01  -0.02   0.08    -0.06   0.08  -0.40     0.10  -0.06  -0.18
    24   1    -0.03   0.03  -0.10     0.16  -0.20   0.57     0.06  -0.10  -0.10
    25   1    -0.37  -0.33  -0.29    -0.02  -0.14  -0.32     0.19   0.10   0.04
    26   1     0.24   0.45  -0.22     0.03   0.34  -0.20     0.21   0.03   0.01
    27   1     0.12  -0.16   0.55     0.03   0.05   0.08     0.06   0.18   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.6012               242.2567               253.6054
 Red. masses --      1.4369                 1.6578                 2.8640
 Frc consts  --      0.0390                 0.0573                 0.1085
 IR Inten    --      0.6236                 2.1284                 0.5178
 RamAct Fr= 1--      0.6011                 0.8200                 3.3024
  Dep-P Fr= 1--      0.6956                 0.3399                 0.2037
  Dep-U Fr= 1--      0.8205                 0.5074                 0.3384
 Alpha2 Fr= 1--      0.0006                 0.0074                 0.0444
 Beta2  Fr= 1--      0.0822                 0.0693                 0.1863
 AlphaG Fr= 1--      0.0057                -0.0075                 0.0143
 Gamma2 Fr= 1--     -0.0714                 0.0682                -0.0447
 Delta2 Fr= 1--     -0.0262                 0.1488                 0.0462
 Raman1 Fr= 1--       2.404                  3.280                 13.210
 ROA1   Fr= 1--      -7.696                 11.305                 -2.811
 CID1   Fr= 1--      -3.201                  3.447                 -0.213
 Raman2 Fr= 1--       0.986                  0.832                  2.235
 ROA2   Fr= 1--      -1.505                  0.445                 -1.442
 CID2   Fr= 1--      -1.526                  0.535                 -0.645
 Raman3 Fr= 1--       1.973                  1.664                  4.471
 ROA3   Fr= 1--      -7.696                 11.305                 -2.811
 CID3   Fr= 1--      -3.902                  6.793                 -0.629
 RC180  Fr= 1--       0.641                  0.015                 -0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.03     0.01  -0.00  -0.01     0.03  -0.02   0.06
     2   6     0.00  -0.03  -0.02    -0.00  -0.02  -0.02    -0.06   0.00   0.03
     3   6    -0.01  -0.00  -0.02    -0.02  -0.04  -0.02    -0.04  -0.06   0.01
     4   6    -0.03   0.04  -0.04    -0.03   0.01  -0.01     0.01  -0.06   0.03
     5   6    -0.02   0.05  -0.00     0.02   0.07   0.02     0.08   0.04   0.02
     6   6    -0.01   0.03   0.00     0.03   0.06   0.01     0.11   0.04  -0.00
     7   8     0.03   0.02   0.01     0.11   0.05  -0.01     0.18   0.04  -0.05
     8   6     0.11   0.00   0.07     0.04  -0.03   0.04    -0.14  -0.00  -0.06
     9   6     0.01  -0.03  -0.05    -0.04  -0.00  -0.06    -0.13   0.04   0.02
    10   6    -0.02  -0.03   0.05    -0.09  -0.06   0.05    -0.15  -0.03  -0.03
    11   6    -0.05  -0.02   0.01    -0.03  -0.02   0.00     0.11   0.02  -0.02
    12   1    -0.06  -0.04  -0.11    -0.12   0.01  -0.14    -0.11   0.08   0.06
    13   1     0.10  -0.05  -0.08     0.04   0.02  -0.10    -0.19   0.07   0.04
    14   1    -0.01   0.04  -0.02    -0.02  -0.01  -0.02    -0.01  -0.09   0.03
    15   1     0.02  -0.11   0.11    -0.07  -0.18   0.11    -0.19  -0.05  -0.06
    16   1    -0.07   0.03   0.11    -0.20   0.01   0.12    -0.17  -0.06  -0.05
    17   1    -0.11   0.04  -0.06     0.34  -0.21   0.06    -0.15   0.09   0.07
    18   1     0.04   0.03  -0.01    -0.30  -0.16  -0.17     0.23   0.06   0.21
    19   1    -0.05  -0.12  -0.04     0.01   0.38   0.10     0.08  -0.23  -0.07
    20   1    -0.21  -0.19  -0.12     0.31   0.06   0.17    -0.45  -0.10  -0.21
    21   1     0.34  -0.21   0.49    -0.03   0.05  -0.22    -0.13  -0.05   0.21
    22   1     0.33   0.45  -0.07    -0.14  -0.20   0.21     0.06   0.12  -0.29
    23   1    -0.07   0.05  -0.08    -0.11   0.02  -0.02    -0.05  -0.06   0.09
    24   1    -0.00   0.04   0.04     0.06   0.06   0.03     0.12   0.04  -0.03
    25   1    -0.09  -0.02   0.02    -0.08  -0.02   0.01     0.12   0.02  -0.03
    26   1    -0.08  -0.03   0.02    -0.08  -0.02   0.01     0.10   0.03  -0.02
    27   1    -0.02  -0.07  -0.01     0.01  -0.09  -0.03     0.10   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    269.0459               282.2763               353.5180
 Red. masses --      1.5683                 1.5923                 2.2972
 Frc consts  --      0.0669                 0.0748                 0.1692
 IR Inten    --      0.3930                 0.2981                 0.3762
 RamAct Fr= 1--      1.1655                 1.2734                 1.2882
  Dep-P Fr= 1--      0.0956                 0.2065                 0.4303
  Dep-U Fr= 1--      0.1745                 0.3423                 0.6017
 Alpha2 Fr= 1--      0.0206                 0.0170                 0.0085
 Beta2  Fr= 1--      0.0339                 0.0726                 0.1292
 AlphaG Fr= 1--      0.0524                 0.0609                -0.0188
 Gamma2 Fr= 1--      0.6777                -0.7055                -0.3823
 Delta2 Fr= 1--      0.1834                -0.2805                -0.1221
 Raman1 Fr= 1--       4.662                  5.094                  5.153
 ROA1   Fr= 1--      70.929                -76.705                -40.606
 CID1   Fr= 1--      15.214                -15.059                 -7.880
 Raman2 Fr= 1--       0.407                  0.872                  1.550
 ROA2   Fr= 1--      14.798                -14.688                 -8.197
 CID2   Fr= 1--      36.375                -16.849                 -5.288
 Raman3 Fr= 1--       0.814                  1.743                  3.100
 ROA3   Fr= 1--      70.929                -76.705                -40.606
 CID3   Fr= 1--      87.178                -43.995                -13.097
 RC180  Fr= 1--      -0.651                 -0.315                  0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.08    -0.11   0.02  -0.06    -0.04   0.20   0.02
     2   6    -0.02  -0.01   0.03    -0.01   0.01  -0.03     0.02  -0.06  -0.03
     3   6     0.00   0.02  -0.01    -0.00   0.02   0.02     0.02  -0.07  -0.02
     4   6    -0.02   0.05  -0.13     0.04  -0.04   0.14    -0.00  -0.05  -0.01
     5   6    -0.01  -0.00  -0.03     0.01  -0.03   0.03     0.02  -0.00  -0.01
     6   6    -0.01  -0.01  -0.01     0.02  -0.03   0.01    -0.00   0.04   0.01
     7   8    -0.02  -0.01   0.03    -0.00  -0.01  -0.03     0.00   0.04   0.01
     8   6    -0.06  -0.00  -0.02    -0.03  -0.00  -0.03     0.05   0.02  -0.14
     9   6    -0.01  -0.01   0.06     0.02  -0.00  -0.01    -0.00  -0.07   0.11
    10   6     0.03   0.01  -0.03     0.02   0.03   0.02     0.01  -0.09   0.04
    11   6    -0.00  -0.00   0.00     0.05   0.02  -0.01    -0.06  -0.02   0.01
    12   1     0.05  -0.02   0.12     0.01  -0.01  -0.02     0.09   0.05   0.23
    13   1    -0.09  -0.03   0.09     0.04  -0.03  -0.01    -0.14  -0.17   0.20
    14   1     0.08  -0.01   0.02    -0.08   0.04  -0.00     0.00  -0.04  -0.03
    15   1     0.00   0.07  -0.07     0.04   0.05   0.02    -0.04  -0.10   0.01
    16   1     0.09  -0.02  -0.06     0.03   0.02   0.01     0.06  -0.07   0.06
    17   1     0.46  -0.25   0.21     0.20  -0.18  -0.07    -0.16   0.26   0.25
    18   1    -0.18  -0.19  -0.03    -0.46  -0.14  -0.29     0.04   0.40  -0.19
    19   1     0.18   0.40   0.10    -0.19   0.38   0.13    -0.09   0.30   0.10
    20   1    -0.28  -0.08  -0.13    -0.23  -0.10  -0.14    -0.05   0.17  -0.13
    21   1    -0.01  -0.06   0.19     0.03  -0.07   0.20     0.11  -0.00  -0.22
    22   1     0.09   0.13  -0.18     0.11   0.16  -0.15     0.12   0.02  -0.24
    23   1    -0.04   0.08  -0.27     0.11  -0.09   0.30    -0.04  -0.04  -0.01
    24   1     0.00  -0.04   0.10    -0.03   0.01  -0.12     0.07  -0.00  -0.01
    25   1    -0.01   0.01   0.01     0.11   0.01  -0.03    -0.12  -0.02   0.02
    26   1     0.01  -0.01   0.00     0.07   0.03  -0.02    -0.12  -0.03   0.02
    27   1    -0.01   0.00   0.02     0.02   0.07  -0.01    -0.01  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.8471               402.6948               480.4199
 Red. masses --      2.2530                 2.4838                 2.4451
 Frc consts  --      0.1835                 0.2373                 0.3325
 IR Inten    --      0.2754                 1.2801                 2.0083
 RamAct Fr= 1--      0.3636                 0.3219                 1.1250
  Dep-P Fr= 1--      0.6737                 0.2726                 0.2881
  Dep-U Fr= 1--      0.8050                 0.4284                 0.4474
 Alpha2 Fr= 1--      0.0005                 0.0036                 0.0120
 Beta2  Fr= 1--      0.0488                 0.0230                 0.0839
 AlphaG Fr= 1--     -0.0049                 0.0032                 0.0473
 Gamma2 Fr= 1--      0.1654                 0.2447                 0.3235
 Delta2 Fr= 1--      0.0204                 0.1705                 0.0539
 Raman1 Fr= 1--       1.454                  1.288                  4.500
 ROA1   Fr= 1--      16.536                 28.943                 32.780
 CID1   Fr= 1--      11.369                 22.479                  7.285
 Raman2 Fr= 1--       0.585                  0.276                  1.007
 ROA2   Fr= 1--       3.807                  4.508                  7.333
 CID2   Fr= 1--       6.503                 16.344                  7.285
 Raman3 Fr= 1--       1.171                  0.552                  2.013
 ROA3   Fr= 1--      16.536                 28.943                 32.780
 CID3   Fr= 1--      14.123                 52.472                 16.284
 RC180  Fr= 1--       0.610                 -0.143                 -0.105
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.02   0.12     0.07   0.06  -0.02    -0.03   0.02  -0.04
     2   6    -0.07  -0.03   0.11    -0.07  -0.06  -0.10     0.17   0.02   0.05
     3   6    -0.04  -0.02   0.07    -0.09   0.04  -0.04     0.04  -0.09   0.09
     4   6    -0.04   0.02  -0.03    -0.08   0.10   0.05    -0.07   0.09  -0.00
     5   6    -0.03   0.01  -0.01    -0.10   0.05   0.04    -0.08   0.07   0.02
     6   6     0.01  -0.03  -0.03    -0.01  -0.09  -0.01    -0.06  -0.03  -0.08
     7   8     0.04  -0.04  -0.00     0.05  -0.09  -0.04     0.03  -0.07   0.02
     8   6     0.02   0.16  -0.07     0.07  -0.04   0.03     0.03  -0.07  -0.05
     9   6     0.04  -0.08  -0.11    -0.06  -0.09   0.05     0.05   0.12   0.01
    10   6     0.05  -0.02  -0.01    -0.00   0.01   0.01    -0.03  -0.08  -0.01
    11   6     0.07   0.03  -0.01     0.13   0.06  -0.01     0.04   0.03   0.00
    12   1    -0.09  -0.31  -0.28     0.02  -0.00   0.14     0.06   0.22   0.05
    13   1     0.27   0.03  -0.24    -0.14  -0.23   0.13    -0.05   0.21   0.02
    14   1     0.03  -0.08   0.10    -0.17   0.07  -0.07     0.00  -0.14   0.08
    15   1     0.14   0.02   0.05    -0.03   0.06  -0.03    -0.04  -0.08  -0.02
    16   1     0.00  -0.04  -0.03     0.11   0.01   0.02    -0.15  -0.13  -0.07
    17   1    -0.09  -0.02   0.11     0.03   0.07   0.20    -0.08   0.06  -0.23
    18   1    -0.10  -0.01   0.09     0.18   0.14  -0.00    -0.13   0.03  -0.18
    19   1    -0.11  -0.02   0.16     0.18   0.13  -0.14    -0.23  -0.05   0.19
    20   1    -0.04   0.46   0.01     0.23  -0.04   0.09    -0.09  -0.13  -0.11
    21   1     0.16   0.10  -0.29     0.18  -0.09  -0.03    -0.15   0.03   0.03
    22   1     0.07   0.16  -0.14    -0.03   0.07   0.21     0.09  -0.23  -0.19
    23   1    -0.07   0.04  -0.10    -0.09   0.08   0.11    -0.23   0.17  -0.21
    24   1    -0.03  -0.01   0.07    -0.21   0.07   0.01    -0.14   0.02   0.25
    25   1     0.12   0.03  -0.01     0.32   0.06  -0.06     0.08   0.08   0.05
    26   1     0.15   0.02  -0.02     0.29   0.07  -0.06     0.25  -0.03  -0.02
    27   1     0.02   0.11   0.04    -0.02   0.31   0.07    -0.04   0.17   0.14
                     16                     17                     18
                      A                      A                      A
 Frequencies --    540.9824               580.2655               595.7584
 Red. masses --      2.6804                 3.3528                 2.5709
 Frc consts  --      0.4622                 0.6651                 0.5376
 IR Inten    --      5.1408                20.7460                 0.4153
 RamAct Fr= 1--      0.5577                 0.2952                 8.3824
  Dep-P Fr= 1--      0.2588                 0.7380                 0.0731
  Dep-U Fr= 1--      0.4112                 0.8492                 0.1363
 Alpha2 Fr= 1--      0.0064                 0.0001                 0.1567
 Beta2  Fr= 1--      0.0382                 0.0418                 0.1904
 AlphaG Fr= 1--      0.0176                -0.0031                 0.0895
 Gamma2 Fr= 1--      0.1609                 0.7444                -0.0213
 Delta2 Fr= 1--      0.2023                -0.0838                -0.3712
 Raman1 Fr= 1--       2.231                  1.181                 33.530
 ROA1   Fr= 1--      21.921                 68.781                -13.925
 CID1   Fr= 1--       9.827                 58.254                 -0.415
 Raman2 Fr= 1--       0.459                  0.501                  2.284
 ROA2   Fr= 1--       2.243                 18.536                  2.458
 CID2   Fr= 1--       4.891                 36.972                  1.076
 Raman3 Fr= 1--       0.917                  1.003                  4.569
 ROA3   Fr= 1--      21.921                 68.781                -13.925
 CID3   Fr= 1--      23.896                 68.596                 -3.048
 RC180  Fr= 1--      -0.178                  0.698                 -0.727
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.07     0.02   0.01  -0.05    -0.03  -0.02   0.06
     2   6     0.01  -0.01   0.05     0.02   0.09   0.01     0.06  -0.08   0.03
     3   6     0.10  -0.01  -0.15    -0.01  -0.06  -0.06    -0.02   0.06   0.10
     4   6     0.06   0.17   0.02    -0.09  -0.09  -0.06    -0.01   0.00  -0.07
     5   6     0.01   0.10   0.01    -0.08  -0.06  -0.05    -0.02  -0.02  -0.08
     6   6     0.05  -0.08   0.13    -0.07  -0.05   0.18     0.02  -0.04   0.18
     7   8    -0.13  -0.02  -0.04     0.15  -0.02  -0.10     0.03   0.02  -0.06
     8   6    -0.01   0.01  -0.02    -0.07   0.10   0.05     0.11  -0.13  -0.07
     9   6    -0.02   0.02  -0.00     0.12   0.02   0.03    -0.07   0.03  -0.02
    10   6    -0.03  -0.09  -0.03     0.09  -0.08   0.01    -0.05   0.12   0.01
    11   6     0.04  -0.05  -0.02    -0.11   0.12   0.07    -0.03   0.02   0.03
    12   1    -0.05  -0.02  -0.04     0.20   0.01   0.11    -0.14   0.06  -0.10
    13   1     0.00   0.11  -0.04     0.00   0.02   0.08     0.03   0.05  -0.07
    14   1     0.15  -0.14  -0.12     0.02  -0.10  -0.05     0.05   0.16   0.11
    15   1    -0.13  -0.47   0.05     0.12  -0.25   0.11    -0.05   0.41  -0.11
    16   1    -0.17   0.14   0.21    -0.02   0.05   0.15     0.09  -0.08  -0.20
    17   1    -0.01  -0.02   0.08     0.07  -0.01  -0.17    -0.10   0.02   0.09
    18   1    -0.00  -0.02   0.08    -0.02  -0.07   0.03    -0.03   0.07  -0.08
    19   1    -0.00  -0.02   0.05     0.03  -0.04  -0.07    -0.12  -0.01   0.19
    20   1    -0.10   0.06  -0.03    -0.08   0.04   0.03     0.08  -0.09  -0.07
    21   1    -0.04   0.03  -0.03    -0.15   0.14   0.10     0.11  -0.13  -0.10
    22   1     0.04  -0.04  -0.11    -0.07   0.06   0.04     0.13  -0.17  -0.11
    23   1     0.04   0.10   0.30    -0.06  -0.12   0.05     0.09  -0.02  -0.02
    24   1    -0.22   0.17  -0.20    -0.02  -0.02  -0.20    -0.00  -0.00  -0.14
    25   1     0.22  -0.15  -0.18     0.24  -0.00  -0.16     0.23  -0.12  -0.20
    26   1    -0.18   0.09  -0.03    -0.24   0.30   0.02    -0.32   0.23   0.01
    27   1     0.01  -0.02  -0.18    -0.26   0.36  -0.05    -0.08   0.10  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    637.7184               742.6419               784.4966
 Red. masses --      3.1989                 2.4958                 1.6854
 Frc consts  --      0.7665                 0.8110                 0.6111
 IR Inten    --      4.8846                 0.4617                 0.9506
 RamAct Fr= 1--     13.3702                 5.5317                 0.9472
  Dep-P Fr= 1--      0.1252                 0.0803                 0.2441
  Dep-U Fr= 1--      0.2225                 0.1487                 0.3924
 Alpha2 Fr= 1--      0.2200                 0.1016                 0.0114
 Beta2  Fr= 1--      0.4959                 0.1371                 0.0619
 AlphaG Fr= 1--     -0.1869                 0.0117                 0.0253
 Gamma2 Fr= 1--     -2.6375                 0.7628                 0.2759
 Delta2 Fr= 1--      1.1355                -0.2849                -0.3644
 Raman1 Fr= 1--      53.481                 22.127                  3.789
 ROA1   Fr= 1--    -216.864                 64.110                 14.829
 CID1   Fr= 1--      -4.055                  2.897                  3.914
 Raman2 Fr= 1--       5.951                  1.646                  0.743
 ROA2   Fr= 1--     -72.384                 20.586                  9.538
 CID2   Fr= 1--     -12.163                 12.509                 12.830
 Raman3 Fr= 1--      11.902                  3.291                  1.487
 ROA3   Fr= 1--    -216.864                 64.110                 14.829
 CID3   Fr= 1--     -18.221                 19.479                  9.974
 RC180  Fr= 1--      -0.555                 -0.703                 -0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.11    -0.05  -0.04   0.14     0.02   0.01  -0.00
     2   6     0.00   0.05  -0.02     0.00   0.00  -0.00     0.08   0.04   0.05
     3   6    -0.10  -0.08   0.14    -0.12   0.05  -0.10    -0.03  -0.02  -0.13
     4   6    -0.12  -0.04  -0.04    -0.12  -0.09  -0.01    -0.09  -0.06  -0.02
     5   6    -0.01   0.10  -0.07    -0.04  -0.03   0.04    -0.02   0.00   0.05
     6   6     0.13   0.00   0.10     0.02   0.04  -0.01    -0.01   0.02  -0.01
     7   8    -0.12   0.06   0.01     0.00   0.05   0.01    -0.00   0.02   0.01
     8   6    -0.05   0.07   0.04     0.07  -0.08  -0.05     0.03   0.01   0.01
     9   6     0.06  -0.02   0.01     0.08   0.11  -0.03    -0.05  -0.03   0.07
    10   6     0.02  -0.04   0.03     0.08   0.06  -0.03     0.03   0.04   0.05
    11   6     0.16  -0.14  -0.05     0.07  -0.05  -0.04     0.03  -0.03  -0.03
    12   1     0.13   0.04   0.09     0.32   0.13   0.22    -0.36  -0.07  -0.26
    13   1    -0.03  -0.09   0.07    -0.25   0.17   0.09     0.40  -0.01  -0.11
    14   1    -0.12  -0.02   0.13    -0.16   0.03  -0.11    -0.02  -0.03  -0.12
    15   1     0.14   0.19   0.02     0.26  -0.21   0.22    -0.21   0.17  -0.17
    16   1     0.02  -0.20  -0.13    -0.16   0.30   0.22     0.45   0.03   0.04
    17   1     0.05   0.03  -0.21    -0.05  -0.04   0.14     0.02   0.02  -0.09
    18   1    -0.01  -0.01  -0.09    -0.06  -0.06   0.15    -0.01  -0.00  -0.02
    19   1     0.00  -0.00  -0.08    -0.06  -0.06   0.15    -0.03  -0.03   0.06
    20   1     0.01   0.00   0.04     0.07  -0.08  -0.05    -0.09  -0.03  -0.04
    21   1    -0.07   0.07   0.08     0.09  -0.09  -0.06    -0.18   0.13   0.06
    22   1    -0.09   0.09   0.11     0.07  -0.08  -0.06     0.07  -0.19  -0.13
    23   1    -0.28   0.01  -0.13    -0.11  -0.12   0.09    -0.17  -0.09   0.14
    24   1     0.06   0.06   0.05     0.02   0.01  -0.12    -0.04   0.06  -0.16
    25   1     0.25  -0.25  -0.22    -0.01  -0.02   0.01     0.00   0.01   0.02
    26   1    -0.17   0.02  -0.04     0.10  -0.09  -0.03     0.11  -0.07  -0.02
    27   1     0.23  -0.26  -0.29     0.12  -0.13  -0.02     0.04  -0.04   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.6196               875.4091               896.4219
 Red. masses --      1.9722                 1.7921                 2.5208
 Frc consts  --      0.8666                 0.8092                 1.1935
 IR Inten    --      4.0762                 4.1598                 6.6631
 RamAct Fr= 1--     20.8626                15.9471                10.6035
  Dep-P Fr= 1--      0.6094                 0.6513                 0.6016
  Dep-U Fr= 1--      0.7573                 0.7888                 0.7512
 Alpha2 Fr= 1--      0.0540                 0.0282                 0.0291
 Beta2  Fr= 1--      2.6331                 2.0966                 1.3276
 AlphaG Fr= 1--      0.2357                -0.2600                 0.1584
 Gamma2 Fr= 1--      0.2732                 1.4749                 4.5402
 Delta2 Fr= 1--     -1.4855                -1.1337                 1.0373
 Raman1 Fr= 1--      83.450                 63.789                 42.414
 ROA1   Fr= 1--     -21.303                105.317                469.050
 CID1   Fr= 1--      -0.255                  1.651                 11.059
 Raman2 Fr= 1--      31.598                 25.160                 15.931
 ROA2   Fr= 1--      18.442                 44.468                100.665
 CID2   Fr= 1--       0.584                  1.767                  6.319
 Raman3 Fr= 1--      63.195                 50.320                 31.863
 ROA3   Fr= 1--     -21.303                105.317                469.050
 CID3   Fr= 1--      -0.337                  2.093                 14.721
 RC180  Fr= 1--       0.515                  0.578                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02   0.03     0.02   0.01   0.00     0.02   0.01  -0.00
     2   6    -0.10  -0.01  -0.07     0.06   0.03   0.03     0.02   0.01   0.01
     3   6     0.06  -0.08  -0.04    -0.03   0.04  -0.04     0.04  -0.08   0.00
     4   6     0.00  -0.05   0.08     0.04  -0.00   0.12    -0.02  -0.09  -0.01
     5   6     0.01   0.07  -0.08    -0.07  -0.03  -0.13     0.15   0.18  -0.00
     6   6    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.02  -0.06  -0.01
     7   8    -0.01  -0.02   0.00     0.02   0.03   0.01    -0.04  -0.08  -0.01
     8   6    -0.01  -0.04  -0.04     0.03   0.02   0.01     0.02   0.01   0.01
     9   6     0.04   0.14   0.06    -0.07  -0.09  -0.00    -0.08  -0.06  -0.06
    10   6     0.06   0.01   0.04     0.01   0.03  -0.05     0.02   0.17   0.00
    11   6    -0.01  -0.01   0.02     0.03  -0.00   0.03    -0.07  -0.02   0.02
    12   1    -0.18   0.14  -0.18    -0.03  -0.18   0.03     0.11  -0.10   0.14
    13   1     0.31   0.19  -0.06    -0.08  -0.06  -0.01    -0.26  -0.16   0.04
    14   1    -0.10  -0.06  -0.09    -0.20  -0.13  -0.07     0.15  -0.06   0.03
    15   1    -0.13   0.04  -0.10     0.00  -0.21   0.04     0.22   0.04   0.20
    16   1     0.20  -0.01   0.02    -0.01   0.24   0.17    -0.05   0.32   0.16
    17   1     0.01  -0.09   0.27    -0.00   0.03  -0.08     0.00   0.03  -0.09
    18   1     0.05  -0.02   0.17    -0.01   0.00  -0.03    -0.03  -0.01  -0.02
    19   1     0.14   0.10  -0.20    -0.05  -0.03   0.08    -0.04  -0.04   0.06
    20   1     0.09  -0.03   0.00    -0.05  -0.05  -0.04    -0.05  -0.00  -0.02
    21   1     0.15  -0.14  -0.06    -0.15   0.12   0.06    -0.08   0.06   0.01
    22   1    -0.05   0.14   0.08     0.06  -0.16  -0.09     0.04  -0.09  -0.06
    23   1    -0.20   0.04  -0.19     0.08   0.10  -0.31    -0.34  -0.06   0.06
    24   1     0.15  -0.07   0.43     0.05  -0.23   0.59     0.34   0.15   0.09
    25   1     0.12  -0.06  -0.07     0.07  -0.08  -0.09     0.14  -0.00  -0.01
    26   1    -0.06   0.08  -0.00    -0.17   0.10   0.03     0.11   0.03  -0.04
    27   1    -0.07   0.08  -0.03     0.06  -0.07  -0.12    -0.23   0.26   0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    917.3950               948.3523               960.4213
 Red. masses --      2.1238                 2.2606                 1.6649
 Frc consts  --      1.0531                 1.1979                 0.9048
 IR Inten    --      0.2418                12.4031                12.7633
 RamAct Fr= 1--      6.7165                 2.3350                 7.2695
  Dep-P Fr= 1--      0.3596                 0.5833                 0.2767
  Dep-U Fr= 1--      0.5290                 0.7368                 0.4334
 Alpha2 Fr= 1--      0.0571                 0.0073                 0.0799
 Beta2  Fr= 1--      0.5921                 0.2867                 0.5251
 AlphaG Fr= 1--     -0.0030                 0.0344                 0.0691
 Gamma2 Fr= 1--      0.8461                 3.6825                 0.4925
 Delta2 Fr= 1--     -0.0148                 1.3674                 0.3135
 Raman1 Fr= 1--      26.866                  9.340                 29.078
 ROA1   Fr= 1--      80.748                397.281                 57.312
 CID1   Fr= 1--       3.006                 42.536                  1.971
 Raman2 Fr= 1--       7.106                  3.441                  6.302
 ROA2   Fr= 1--      20.424                 77.441                  9.312
 CID2   Fr= 1--       2.874                 22.507                  1.478
 Raman3 Fr= 1--      14.211                  6.882                 12.603
 ROA3   Fr= 1--      80.748                397.281                 57.312
 CID3   Fr= 1--       5.682                 57.731                  4.547
 RC180  Fr= 1--       0.058                  0.474                 -0.133
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.15     0.02  -0.05   0.01    -0.03   0.10  -0.04
     2   6     0.07   0.07  -0.08     0.03  -0.05  -0.02    -0.04   0.04   0.06
     3   6    -0.06   0.05  -0.07    -0.08   0.01  -0.01    -0.07   0.02  -0.01
     4   6     0.03  -0.01   0.02     0.02   0.02  -0.00     0.00   0.00   0.01
     5   6     0.06   0.06  -0.02     0.05   0.02  -0.00     0.04   0.03  -0.00
     6   6     0.02  -0.03  -0.01     0.06  -0.03  -0.02     0.07  -0.04  -0.03
     7   8    -0.02  -0.04  -0.00    -0.02  -0.05  -0.01    -0.02  -0.05  -0.01
     8   6     0.01   0.05  -0.01    -0.02   0.06   0.01     0.05  -0.10   0.04
     9   6     0.10  -0.06  -0.03    -0.15   0.07  -0.07    -0.00   0.00   0.01
    10   6    -0.09  -0.08   0.03     0.16  -0.12   0.07     0.01  -0.05   0.01
    11   6    -0.03   0.02   0.02    -0.02   0.07   0.02    -0.02   0.07   0.02
    12   1     0.11   0.25   0.03    -0.14   0.20  -0.03     0.00  -0.06   0.01
    13   1     0.04  -0.36   0.10    -0.33   0.33  -0.10    -0.03   0.10  -0.01
    14   1    -0.22   0.32  -0.16    -0.16   0.07  -0.04    -0.11   0.05  -0.03
    15   1    -0.11   0.23  -0.11     0.28   0.07   0.09     0.07   0.04   0.02
    16   1     0.01  -0.31  -0.22     0.39  -0.11   0.10     0.03  -0.08  -0.02
    17   1    -0.00  -0.03  -0.04    -0.12   0.03   0.14     0.21  -0.04  -0.28
    18   1    -0.12  -0.13   0.22     0.05   0.12  -0.23    -0.08  -0.21   0.37
    19   1    -0.09  -0.13   0.20    -0.09   0.03   0.17     0.15  -0.06  -0.31
    20   1     0.07  -0.16  -0.06     0.03  -0.10  -0.02    -0.19   0.27   0.06
    21   1    -0.14   0.12   0.12    -0.12   0.11   0.13     0.11  -0.10  -0.23
    22   1    -0.06  -0.02   0.05    -0.09   0.02   0.08     0.24  -0.18  -0.26
    23   1    -0.02   0.02  -0.06     0.05   0.03  -0.04    -0.02   0.01  -0.02
    24   1     0.12   0.03   0.09     0.02   0.03  -0.05     0.01   0.03  -0.01
    25   1    -0.01   0.01   0.00    -0.18   0.06   0.04    -0.20   0.06   0.04
    26   1    -0.05   0.04   0.01    -0.17   0.05   0.07    -0.19   0.05   0.08
    27   1    -0.06   0.06   0.02     0.06  -0.08  -0.03     0.08  -0.10  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --    968.2197               980.4561              1003.1371
 Red. masses --      1.7288                 1.7372                 1.6633
 Frc consts  --      0.9549                 0.9839                 0.9862
 IR Inten    --     26.2578                 1.3638                 2.2693
 RamAct Fr= 1--     12.7106                 7.9923                 7.0050
  Dep-P Fr= 1--      0.1622                 0.2456                 0.3580
  Dep-U Fr= 1--      0.2792                 0.3943                 0.5273
 Alpha2 Fr= 1--      0.1905                 0.0959                 0.0599
 Beta2  Fr= 1--      0.5914                 0.5253                 0.6156
 AlphaG Fr= 1--      0.2441                 0.0449                -0.5107
 Gamma2 Fr= 1--     -0.1547                -0.3571                -0.9852
 Delta2 Fr= 1--     -0.4679                -0.3689                 0.6724
 Raman1 Fr= 1--      50.842                 31.969                 28.020
 ROA1   Fr= 1--     -29.819                -46.087                -73.064
 CID1   Fr= 1--      -0.586                 -1.442                 -2.608
 Raman2 Fr= 1--       7.096                  6.303                  7.387
 ROA2   Fr= 1--       0.031                 -5.620                -29.024
 CID2   Fr= 1--       0.004                 -0.892                 -3.929
 Raman3 Fr= 1--      14.193                 12.606                 14.775
 ROA3   Fr= 1--     -29.819                -46.087                -73.064
 CID3   Fr= 1--      -2.101                 -3.656                 -4.945
 RC180  Fr= 1--      -0.442                 -0.211                  0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.01   0.06   0.06     0.05  -0.05  -0.04
     2   6    -0.00   0.02  -0.03    -0.00   0.02  -0.04     0.04  -0.11   0.02
     3   6     0.03  -0.08   0.01     0.09  -0.08   0.00     0.01   0.01  -0.08
     4   6    -0.03   0.01  -0.01     0.01   0.03   0.00    -0.02  -0.02   0.01
     5   6    -0.03  -0.01   0.02    -0.07  -0.06  -0.00    -0.02   0.02  -0.03
     6   6     0.10  -0.04  -0.03    -0.04   0.03   0.01     0.01  -0.00  -0.00
     7   8    -0.01  -0.06  -0.02     0.02   0.04   0.01     0.00  -0.01  -0.00
     8   6    -0.01   0.01  -0.04    -0.03  -0.02   0.00    -0.08   0.00   0.11
     9   6     0.04  -0.01   0.01    -0.08  -0.00  -0.11     0.07   0.03  -0.03
    10   6    -0.03   0.11  -0.01     0.05   0.01   0.06    -0.05   0.04   0.02
    11   6     0.02   0.14   0.03     0.03  -0.03  -0.01     0.01   0.02  -0.00
    12   1     0.02   0.02   0.00    -0.03   0.45   0.02     0.10   0.23   0.04
    13   1     0.13  -0.21   0.05    -0.25  -0.33   0.07    -0.04  -0.05   0.04
    14   1     0.07  -0.26   0.05     0.15  -0.10   0.02     0.02   0.20  -0.11
    15   1    -0.11  -0.04  -0.01    -0.02   0.07  -0.02    -0.04   0.16  -0.02
    16   1    -0.05   0.19   0.07     0.29   0.00   0.06    -0.02  -0.05  -0.07
    17   1    -0.04   0.02   0.01     0.12   0.00  -0.33    -0.08   0.03   0.07
    18   1    -0.02   0.02  -0.06    -0.17  -0.21   0.28     0.07   0.13  -0.29
    19   1    -0.06  -0.02   0.11    -0.04  -0.18   0.03    -0.07   0.02   0.14
    20   1     0.13  -0.13  -0.03    -0.01   0.13   0.06    -0.28   0.47   0.18
    21   1     0.02  -0.02   0.07     0.14  -0.11  -0.11     0.12  -0.07  -0.21
    22   1    -0.10   0.11   0.12    -0.00   0.11   0.01     0.11   0.06  -0.13
    23   1    -0.19   0.02   0.03     0.01   0.02   0.04    -0.06  -0.08   0.25
    24   1    -0.25   0.01  -0.03    -0.15  -0.06   0.05     0.01  -0.08   0.33
    25   1    -0.41   0.10   0.07     0.06  -0.03  -0.02    -0.07   0.02   0.02
    26   1    -0.38   0.06   0.15     0.05  -0.03  -0.02    -0.04  -0.01   0.02
    27   1     0.27  -0.31  -0.14     0.03  -0.02  -0.01     0.06  -0.06  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1009.7610              1024.5820              1049.8104
 Red. masses --      1.4208                 1.2707                 1.7335
 Frc consts  --      0.8536                 0.7859                 1.1257
 IR Inten    --      1.9126                28.0654                 0.2140
 RamAct Fr= 1--     12.0686                 1.1843                 1.3274
  Dep-P Fr= 1--      0.3246                 0.4226                 0.5190
  Dep-U Fr= 1--      0.4901                 0.5942                 0.6834
 Alpha2 Fr= 1--      0.1148                 0.0081                 0.0060
 Beta2  Fr= 1--      0.9858                 0.1173                 0.1512
 AlphaG Fr= 1--      0.4383                 0.3542                 0.2012
 Gamma2 Fr= 1--      4.8345                 0.3949                 0.7528
 Delta2 Fr= 1--      0.6378                -0.7924                -0.3053
 Raman1 Fr= 1--      48.274                  4.737                  5.309
 ROA1   Fr= 1--     484.521                 12.556                 62.500
 CID1   Fr= 1--      10.037                  2.650                 11.771
 Raman2 Fr= 1--      11.829                  1.407                  1.814
 ROA2   Fr= 1--     110.925                 15.817                 20.510
 CID2   Fr= 1--       9.377                 11.239                 11.305
 Raman3 Fr= 1--      23.659                  2.815                  3.628
 ROA3   Fr= 1--     484.521                 12.556                 62.500
 CID3   Fr= 1--      20.480                  4.461                 17.225
 RC180  Fr= 1--      -0.020                  0.188                  0.367
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03  -0.01     0.02   0.02   0.01    -0.01  -0.01  -0.00
     2   6    -0.00   0.01  -0.03    -0.02   0.03   0.01     0.01  -0.01  -0.01
     3   6     0.09  -0.05   0.01    -0.02   0.02   0.02    -0.00  -0.01   0.00
     4   6    -0.02   0.01  -0.02    -0.02   0.01  -0.07     0.02  -0.01   0.06
     5   6    -0.05  -0.02   0.00    -0.00   0.02  -0.05    -0.01   0.01  -0.05
     6   6    -0.00   0.01   0.01     0.02  -0.02   0.06     0.04  -0.05   0.18
     7   8     0.01   0.01  -0.00    -0.01  -0.00  -0.01    -0.01   0.01  -0.03
     8   6     0.07   0.05   0.03     0.01  -0.01  -0.05     0.00   0.00   0.02
     9   6    -0.02  -0.01  -0.04    -0.01  -0.01   0.03     0.00   0.00  -0.01
    10   6     0.00   0.02   0.03     0.01  -0.04  -0.01    -0.00   0.02   0.00
    11   6     0.02   0.02  -0.01    -0.01   0.02  -0.06    -0.03   0.03  -0.13
    12   1     0.08  -0.08   0.06    -0.05  -0.09  -0.02     0.01   0.07   0.00
    13   1    -0.12  -0.01  -0.00     0.03   0.08  -0.02     0.01  -0.07   0.02
    14   1     0.07   0.26  -0.04     0.11  -0.01   0.06    -0.11  -0.08  -0.02
    15   1     0.15   0.15   0.09     0.02  -0.04  -0.00    -0.03  -0.01  -0.01
    16   1    -0.12  -0.12  -0.11     0.02  -0.01   0.01     0.00   0.04   0.02
    17   1     0.01  -0.11   0.34     0.03   0.03  -0.13    -0.01  -0.01   0.06
    18   1     0.10   0.02   0.17    -0.05  -0.04   0.03     0.02   0.02  -0.00
    19   1     0.19   0.15  -0.31    -0.04  -0.06   0.06     0.02   0.03  -0.03
    20   1    -0.12  -0.10  -0.09     0.14  -0.14  -0.04    -0.06   0.06   0.02
    21   1    -0.30   0.26   0.11     0.04  -0.05   0.04    -0.02   0.02  -0.02
    22   1     0.10  -0.29  -0.15    -0.07   0.07   0.09     0.03  -0.03  -0.04
    23   1    -0.07  -0.04   0.21     0.14  -0.18   0.60    -0.06   0.13  -0.45
    24   1    -0.13  -0.05   0.14     0.14  -0.14   0.52    -0.02   0.04  -0.17
    25   1    -0.08   0.02   0.02    -0.15   0.13   0.13    -0.30   0.30   0.28
    26   1    -0.02  -0.03   0.02     0.15  -0.15  -0.02     0.38  -0.36  -0.05
    27   1     0.09  -0.09  -0.02     0.03  -0.03   0.12     0.05  -0.06   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.9768              1156.1786              1172.4305
 Red. masses --      1.3648                 2.0951                 1.6569
 Frc consts  --      0.9554                 1.6501                 1.3419
 IR Inten    --     10.0059                 8.7249                15.9559
 RamAct Fr= 1--      8.5303                 5.7797                75.8150
  Dep-P Fr= 1--      0.3313                 0.2475                 0.3557
  Dep-U Fr= 1--      0.4977                 0.3968                 0.5248
 Alpha2 Fr= 1--      0.0795                 0.0690                 0.6533
 Beta2  Fr= 1--      0.7076                 0.3822                 6.6312
 AlphaG Fr= 1--     -0.1037                 0.0914                 0.3092
 Gamma2 Fr= 1--      0.1899                -2.0722                 3.8708
 Delta2 Fr= 1--      1.2160                -1.3322                -0.4375
 Raman1 Fr= 1--      34.121                 23.119                303.260
 ROA1   Fr= 1--      57.140               -241.562                357.598
 CID1   Fr= 1--       1.675                -10.449                  1.179
 Raman2 Fr= 1--       8.492                  4.586                 79.574
 ROA2   Fr= 1--      -5.171                -39.075                 96.399
 CID2   Fr= 1--      -0.609                 -8.520                  1.211
 Raman3 Fr= 1--      16.983                  9.173                159.148
 ROA3   Fr= 1--      57.140               -241.562                357.598
 CID3   Fr= 1--       3.365                -26.335                  2.247
 RC180  Fr= 1--      -0.005                 -0.206                  0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.02    -0.04  -0.01  -0.01    -0.05  -0.02  -0.05
     2   6     0.00   0.01   0.02     0.04  -0.00  -0.02     0.05   0.03   0.12
     3   6     0.10   0.02  -0.06     0.08   0.17   0.09    -0.05   0.05  -0.07
     4   6    -0.02  -0.05   0.06    -0.08  -0.10   0.02     0.01  -0.02   0.04
     5   6    -0.04   0.01  -0.00    -0.01   0.07   0.02    -0.01   0.01  -0.01
     6   6    -0.02  -0.00   0.02    -0.06  -0.00   0.01     0.02   0.00  -0.01
     7   8     0.01  -0.00  -0.00     0.00  -0.04  -0.01    -0.00   0.00   0.00
     8   6    -0.03  -0.01  -0.04    -0.01   0.01   0.01    -0.01  -0.00  -0.05
     9   6    -0.04  -0.02   0.02    -0.02  -0.04  -0.02     0.06  -0.05  -0.06
    10   6    -0.01  -0.02   0.02     0.04  -0.07  -0.10    -0.09  -0.02   0.05
    11   6     0.02   0.01  -0.01     0.05   0.03  -0.00    -0.01  -0.01   0.00
    12   1     0.04  -0.36   0.04    -0.16   0.35  -0.09     0.16   0.12   0.07
    13   1    -0.10   0.33  -0.08    -0.01  -0.14   0.01    -0.22   0.16  -0.02
    14   1     0.19   0.47  -0.09     0.34   0.25   0.17     0.48  -0.36   0.16
    15   1     0.17   0.13   0.08    -0.27  -0.41  -0.18     0.01   0.24   0.02
    16   1    -0.14  -0.16  -0.14     0.13   0.12   0.11     0.34  -0.01   0.07
    17   1     0.03   0.05  -0.20     0.01  -0.05   0.12     0.02  -0.07   0.18
    18   1    -0.07  -0.04  -0.01     0.04   0.01   0.07     0.12   0.06   0.05
    19   1    -0.07  -0.09   0.11     0.06   0.06  -0.10     0.13   0.15  -0.23
    20   1     0.13  -0.05   0.01    -0.03   0.04   0.02     0.17  -0.11  -0.02
    21   1     0.12  -0.12   0.00    -0.01   0.01  -0.01     0.07  -0.07   0.07
    22   1    -0.10   0.17   0.12     0.01   0.01  -0.01    -0.08   0.09   0.09
    23   1    -0.29   0.04  -0.18    -0.12  -0.08  -0.08    -0.06   0.02  -0.06
    24   1    -0.13   0.03  -0.04     0.23   0.07  -0.05    -0.08  -0.01   0.06
    25   1    -0.06   0.01   0.01    -0.10  -0.01  -0.02     0.02  -0.00   0.00
    26   1    -0.02  -0.02   0.02    -0.08  -0.02   0.05     0.01   0.01  -0.01
    27   1     0.08  -0.08  -0.02     0.15  -0.15  -0.07    -0.03   0.03   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1185.4253              1198.2971              1224.8745
 Red. masses --      1.8120                 1.9130                 1.5127
 Frc consts  --      1.5002                 1.6184                 1.3372
 IR Inten    --     14.7968                60.7830                 5.8358
 RamAct Fr= 1--      1.2956                 3.0417                15.5783
  Dep-P Fr= 1--      0.7485                 0.7405                 0.4353
  Dep-U Fr= 1--      0.8562                 0.8509                 0.6066
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.1012
 Beta2  Fr= 1--      0.1849                 0.4314                 1.5750
 AlphaG Fr= 1--      0.0008                -0.0070                 0.0184
 Gamma2 Fr= 1--     -0.2831                 1.1113                -1.6359
 Delta2 Fr= 1--     -0.2319                 0.9803                -0.7235
 Raman1 Fr= 1--       5.182                 12.167                 62.313
 ROA1   Fr= 1--     -34.594                138.057               -180.200
 CID1   Fr= 1--      -6.675                 11.347                 -2.892
 Raman2 Fr= 1--       2.219                  5.176                 18.900
 ROA2   Fr= 1--      -4.938                 18.830                -33.474
 CID2   Fr= 1--      -2.226                  3.638                 -1.771
 Raman3 Fr= 1--       4.437                 10.353                 37.800
 ROA3   Fr= 1--     -34.594                138.057               -180.200
 CID3   Fr= 1--      -7.797                 13.335                 -4.767
 RC180  Fr= 1--       0.712                  0.702                  0.213
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.00   0.00     0.01  -0.00   0.00     0.03   0.04   0.02
     2   6     0.19   0.00  -0.00    -0.03  -0.01  -0.01    -0.10  -0.09  -0.04
     3   6     0.02  -0.05   0.06     0.01   0.06   0.03     0.03  -0.02   0.04
     4   6    -0.01   0.02  -0.05    -0.02  -0.05   0.01     0.00   0.01  -0.01
     5   6     0.00  -0.02   0.01    -0.01  -0.04  -0.01     0.01  -0.00   0.00
     6   6     0.04  -0.00  -0.01     0.22  -0.01  -0.05    -0.01  -0.00   0.01
     7   8    -0.00   0.01   0.00    -0.02   0.05   0.02     0.00  -0.00  -0.00
     8   6    -0.09  -0.01  -0.02     0.02   0.00   0.01     0.05   0.04   0.01
     9   6    -0.01  -0.06   0.02    -0.01   0.00  -0.01     0.10  -0.05  -0.02
    10   6    -0.04   0.03  -0.05     0.04  -0.02  -0.02    -0.07   0.02   0.01
    11   6    -0.02  -0.01   0.00    -0.10  -0.05   0.01     0.00   0.00  -0.00
    12   1    -0.03  -0.03  -0.00    -0.04   0.07  -0.02     0.15   0.02   0.04
    13   1    -0.07   0.26  -0.07     0.00  -0.05   0.01    -0.25   0.55  -0.10
    14   1    -0.52   0.25  -0.15     0.15   0.15   0.06    -0.13   0.10  -0.02
    15   1     0.02  -0.07   0.03    -0.15  -0.17  -0.10    -0.34  -0.05  -0.15
    16   1     0.18   0.23   0.16    -0.02   0.00  -0.00     0.40   0.18   0.19
    17   1     0.09  -0.10   0.14    -0.01   0.01  -0.02     0.03   0.05  -0.20
    18   1     0.07  -0.01   0.21    -0.01  -0.00  -0.02    -0.11  -0.07  -0.01
    19   1     0.12   0.07  -0.22    -0.02  -0.01   0.04    -0.04  -0.11   0.05
    20   1     0.08   0.14   0.10    -0.03  -0.01  -0.01    -0.08  -0.09  -0.08
    21   1     0.14  -0.14  -0.02    -0.04   0.04  -0.00    -0.16   0.15   0.07
    22   1    -0.10   0.30   0.13     0.03  -0.06  -0.03    -0.00  -0.14  -0.00
    23   1     0.02  -0.02   0.09    -0.32  -0.02   0.03    -0.01   0.01   0.00
    24   1    -0.06  -0.01  -0.02    -0.60  -0.04   0.12     0.00   0.00  -0.01
    25   1     0.03   0.01   0.02     0.12   0.06   0.08    -0.01  -0.00  -0.00
    26   1     0.02   0.01  -0.02     0.08   0.10  -0.08    -0.00  -0.01   0.00
    27   1    -0.07   0.07   0.04    -0.33   0.35   0.17     0.02  -0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1245.7561              1267.5923              1282.9241
 Red. masses --      1.6186                 1.4689                 1.9230
 Frc consts  --      1.4800                 1.3906                 1.8648
 IR Inten    --     10.2939                 4.8132                 4.6136
 RamAct Fr= 1--     15.4761                 3.6223                 9.1855
  Dep-P Fr= 1--      0.3039                 0.4455                 0.3424
  Dep-U Fr= 1--      0.4661                 0.6164                 0.5101
 Alpha2 Fr= 1--      0.1569                 0.0226                 0.0826
 Beta2  Fr= 1--      1.2022                 0.3722                 0.7809
 AlphaG Fr= 1--      0.0704                -0.0285                -0.1099
 Gamma2 Fr= 1--      0.3446                 2.0023                 1.7143
 Delta2 Fr= 1--     -2.8261                 0.8822                 0.8190
 Raman1 Fr= 1--      61.904                 14.489                 36.742
 ROA1   Fr= 1--     -57.352                220.454                190.779
 CID1   Fr= 1--      -0.926                 15.215                  5.192
 Raman2 Fr= 1--      14.427                  4.466                  9.371
 ROA2   Fr= 1--      30.879                 40.999                 34.591
 CID2   Fr= 1--       2.140                  9.181                  3.691
 Raman3 Fr= 1--      28.854                  8.932                 18.742
 ROA3   Fr= 1--     -57.352                220.454                190.779
 CID3   Fr= 1--      -1.988                 24.682                 10.179
 RC180  Fr= 1--      -0.068                  0.233                  0.020
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.00     0.02  -0.02   0.02     0.01  -0.06   0.02
     2   6    -0.04   0.17  -0.01    -0.04   0.04  -0.08     0.00   0.18  -0.11
     3   6     0.02  -0.03   0.04     0.00  -0.02   0.01     0.01   0.02   0.01
     4   6     0.01   0.00  -0.01     0.02   0.01   0.01     0.00  -0.00  -0.02
     5   6     0.01  -0.00   0.00    -0.00  -0.01  -0.00     0.01  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
     8   6     0.01  -0.06   0.02     0.02  -0.01   0.03    -0.01  -0.06   0.04
     9   6    -0.01   0.07  -0.05     0.03  -0.04   0.08     0.01  -0.14   0.01
    10   6    -0.05  -0.06  -0.00    -0.09  -0.04  -0.10     0.06   0.04   0.07
    11   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1     0.24  -0.49   0.11    -0.24   0.32  -0.13    -0.10   0.13  -0.05
    13   1    -0.03  -0.25   0.06     0.12   0.14  -0.02    -0.26   0.51  -0.12
    14   1    -0.05   0.22  -0.01     0.21   0.03   0.07    -0.02  -0.34   0.04
    15   1    -0.12  -0.04  -0.06     0.63   0.19   0.33    -0.23  -0.08  -0.09
    16   1     0.50   0.11   0.20     0.20   0.19   0.15    -0.28  -0.22  -0.20
    17   1    -0.15   0.04   0.15    -0.06   0.03   0.01    -0.13   0.03   0.14
    18   1     0.06   0.08  -0.17    -0.02  -0.00  -0.05     0.05   0.05  -0.08
    19   1    -0.06   0.11   0.15    -0.04  -0.00   0.09    -0.04   0.11   0.13
    20   1    -0.03   0.06   0.03    -0.08   0.06   0.01    -0.06   0.14   0.07
    21   1     0.11  -0.09  -0.16    -0.04   0.03  -0.07     0.05  -0.05  -0.18
    22   1     0.11  -0.02  -0.11     0.08  -0.04  -0.07     0.14   0.06  -0.12
    23   1    -0.01   0.00   0.01    -0.05   0.03  -0.01    -0.05  -0.01   0.04
    24   1    -0.06   0.00   0.01    -0.07  -0.01  -0.01    -0.03   0.00   0.00
    25   1    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    26   1     0.00  -0.01   0.00     0.01   0.00  -0.00     0.00  -0.01   0.00
    27   1     0.01  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1311.1183              1325.3571              1342.3203
 Red. masses --      1.7779                 1.7302                 1.4733
 Frc consts  --      1.8007                 1.7907                 1.5640
 IR Inten    --     48.0088                31.0164                17.1671
 RamAct Fr= 1--     22.2326                 1.6532                33.7138
  Dep-P Fr= 1--      0.2310                 0.7424                 0.2349
  Dep-U Fr= 1--      0.3753                 0.8522                 0.3805
 Alpha2 Fr= 1--      0.2778                 0.0002                 0.4166
 Beta2  Fr= 1--      1.3906                 0.2348                 2.1380
 AlphaG Fr= 1--      0.1193                 0.0037                -0.0797
 Gamma2 Fr= 1--      4.4215                 1.4184                 0.3629
 Delta2 Fr= 1--      2.6626                 0.1607                -0.1543
 Raman1 Fr= 1--      88.930                  6.613                134.855
 ROA1   Fr= 1--     509.664                141.308                 29.906
 CID1   Fr= 1--       5.731                 21.369                  0.222
 Raman2 Fr= 1--      16.687                  2.818                 25.656
 ROA2   Fr= 1--      84.815                 32.756                  9.945
 CID2   Fr= 1--       5.083                 11.625                  0.388
 Raman3 Fr= 1--      33.373                  5.635                 51.312
 ROA3   Fr= 1--     509.664                141.308                 29.906
 CID3   Fr= 1--      15.272                 25.076                  0.583
 RC180  Fr= 1--      -0.249                  0.704                 -0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.03     0.02  -0.02  -0.02     0.00  -0.00   0.00
     2   6    -0.08   0.06   0.17    -0.07   0.06   0.10    -0.00   0.00  -0.01
     3   6    -0.03  -0.04   0.00     0.08  -0.06  -0.03     0.06   0.04  -0.00
     4   6     0.06   0.05  -0.01    -0.08  -0.02   0.01    -0.06   0.10   0.04
     5   6     0.06  -0.06  -0.03    -0.09   0.05   0.04    -0.04  -0.11  -0.02
     6   6    -0.07   0.00   0.02     0.10  -0.01  -0.02     0.08  -0.00  -0.02
     7   8     0.01   0.01  -0.00    -0.02  -0.01   0.00    -0.01  -0.00   0.00
     8   6     0.02  -0.01  -0.04     0.01  -0.01  -0.03     0.00  -0.00   0.00
     9   6     0.02  -0.05  -0.02     0.02  -0.05  -0.01    -0.00   0.01  -0.01
    10   6     0.04   0.01  -0.03     0.00   0.02   0.00    -0.02  -0.02   0.01
    11   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00
    12   1    -0.13   0.47  -0.08    -0.07   0.27  -0.05     0.02  -0.06   0.00
    13   1    -0.04  -0.09   0.02    -0.08   0.00   0.01    -0.03  -0.02   0.01
    14   1    -0.27   0.37  -0.12    -0.11   0.24  -0.12    -0.02  -0.11  -0.00
    15   1    -0.04  -0.11  -0.03     0.02   0.01   0.02     0.02   0.03   0.02
    16   1    -0.08   0.04  -0.01    -0.04  -0.01  -0.03     0.04  -0.04  -0.01
    17   1    -0.06   0.03  -0.05    -0.06   0.04  -0.04    -0.00   0.00  -0.00
    18   1     0.08   0.11  -0.17     0.04   0.07  -0.13     0.00  -0.00   0.00
    19   1     0.05   0.13  -0.04     0.02   0.08   0.00    -0.01   0.01   0.01
    20   1     0.11  -0.12  -0.04     0.07  -0.09  -0.03    -0.01   0.01   0.00
    21   1     0.07  -0.06   0.06     0.07  -0.05   0.02    -0.01   0.01  -0.01
    22   1    -0.03  -0.06   0.02    -0.01  -0.06  -0.01     0.01   0.01  -0.00
    23   1    -0.51   0.08   0.15     0.73  -0.08  -0.20    -0.42   0.12   0.14
    24   1    -0.08  -0.06  -0.00     0.24   0.05  -0.04     0.78  -0.12  -0.21
    25   1     0.03  -0.03  -0.05    -0.05   0.06   0.10    -0.02   0.07   0.10
    26   1     0.04  -0.05   0.01    -0.08   0.10  -0.03    -0.05   0.10  -0.04
    27   1     0.06  -0.08  -0.03    -0.09   0.13   0.05    -0.08   0.09   0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1378.4203              1385.9666              1406.8266
 Red. masses --      1.6606                 1.3607                 1.2843
 Frc consts  --      1.8590                 1.5400                 1.4976
 IR Inten    --      0.8631                59.2340                 9.3879
 RamAct Fr= 1--     18.3505                 1.5924                 1.4181
  Dep-P Fr= 1--      0.3788                 0.3385                 0.3311
  Dep-U Fr= 1--      0.5495                 0.5058                 0.4975
 Alpha2 Fr= 1--      0.1464                 0.0145                 0.0132
 Beta2  Fr= 1--      1.6805                 0.1342                 0.1176
 AlphaG Fr= 1--     -0.0956                 0.0110                -0.0026
 Gamma2 Fr= 1--     -1.5697                -0.3512                 0.1416
 Delta2 Fr= 1--      0.0143                -0.0157                 0.1879
 Raman1 Fr= 1--      73.402                  6.370                  5.672
 ROA1   Fr= 1--    -150.236                -34.217                 19.608
 CID1   Fr= 1--      -2.047                 -5.372                  3.457
 Raman2 Fr= 1--      20.166                  1.611                  1.411
 ROA2   Fr= 1--     -37.787                 -8.302                  1.896
 CID2   Fr= 1--      -1.874                 -5.154                  1.344
 Raman3 Fr= 1--      40.331                  3.222                  2.822
 ROA3   Fr= 1--    -150.236                -34.217                 19.608
 CID3   Fr= 1--      -3.725                -10.621                  6.948
 RC180  Fr= 1--       0.099                  0.012                 -0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.00  -0.00  -0.00     0.03   0.02  -0.08
     2   6     0.04   0.01  -0.04    -0.00   0.00  -0.00    -0.02   0.01   0.03
     3   6    -0.16  -0.14  -0.01     0.01  -0.01  -0.00     0.02   0.00  -0.00
     4   6     0.03   0.07   0.05    -0.03   0.01   0.01    -0.00  -0.01  -0.00
     5   6    -0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.00   0.00   0.00
     6   6     0.01  -0.00  -0.00     0.07  -0.01  -0.02    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07  -0.08  -0.05
     9   6     0.00  -0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    10   6     0.05   0.04  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00  -0.01  -0.00    -0.12   0.09   0.05     0.00   0.00  -0.00
    12   1     0.04   0.01   0.05     0.00  -0.00   0.00    -0.01   0.04  -0.01
    13   1     0.08   0.10  -0.05    -0.00   0.01  -0.00    -0.02  -0.03   0.01
    14   1     0.63   0.53   0.15     0.04   0.03   0.00    -0.07  -0.01  -0.03
    15   1    -0.22  -0.12  -0.15    -0.01   0.00  -0.00     0.02  -0.02   0.02
    16   1    -0.07   0.11   0.05    -0.00  -0.00  -0.00     0.03  -0.03  -0.03
    17   1     0.03  -0.03   0.06     0.00  -0.00   0.00    -0.05   0.03   0.34
    18   1     0.02  -0.02   0.07     0.00   0.00   0.00    -0.01  -0.21   0.27
    19   1    -0.04  -0.01   0.03    -0.01   0.00   0.01    -0.24  -0.05   0.26
    20   1    -0.02   0.06   0.02     0.00  -0.00  -0.00    -0.20   0.38   0.01
    21   1    -0.06   0.03  -0.02     0.00  -0.00  -0.00    -0.38   0.18   0.18
    22   1     0.02   0.08   0.01     0.00   0.00  -0.00    -0.12   0.30   0.32
    23   1     0.11   0.09  -0.05     0.08   0.00  -0.02     0.01  -0.01  -0.00
    24   1     0.20  -0.04  -0.04     0.10  -0.01  -0.02    -0.02   0.00   0.00
    25   1    -0.02   0.02   0.04     0.39  -0.22  -0.41    -0.00  -0.00  -0.00
    26   1    -0.03   0.04  -0.01     0.50  -0.34   0.06     0.00  -0.00   0.00
    27   1    -0.03   0.04   0.01     0.18  -0.40  -0.15     0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.8574              1464.8051              1474.3295
 Red. masses --      1.2283                 1.0589                 1.0480
 Frc consts  --      1.4672                 1.3387                 1.3421
 IR Inten    --      3.3188                14.4194                 9.2732
 RamAct Fr= 1--      1.2498                 7.1793                 4.7492
  Dep-P Fr= 1--      0.7499                 0.3844                 0.7499
  Dep-U Fr= 1--      0.8571                 0.5553                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0562                 0.0000
 Beta2  Fr= 1--      0.1785                 0.6645                 0.6784
 AlphaG Fr= 1--     -0.0002                -0.0210                -0.0011
 Gamma2 Fr= 1--      0.2170                -0.5442                 0.0959
 Delta2 Fr= 1--     -0.0268                -0.1324                 0.0127
 Raman1 Fr= 1--       4.999                 28.717                 18.997
 ROA1   Fr= 1--      19.973                -56.478                  9.609
 CID1   Fr= 1--       3.995                 -1.967                  0.506
 Raman2 Fr= 1--       2.142                  7.974                  8.141
 ROA2   Fr= 1--       5.423                -12.002                  2.200
 CID2   Fr= 1--       2.531                 -1.505                  0.270
 Raman3 Fr= 1--       4.285                 15.948                 16.281
 ROA3   Fr= 1--      19.973                -56.478                  9.609
 CID3   Fr= 1--       4.662                 -3.541                  0.590
 RC180  Fr= 1--       0.714                  0.111                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00  -0.00   0.01
     6   6    -0.00  -0.00   0.00    -0.01   0.02   0.01    -0.00   0.01  -0.02
     7   8     0.00   0.00  -0.00     0.00  -0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.05   0.07   0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.05  -0.03   0.00    -0.01   0.01  -0.05
    12   1    -0.05   0.02  -0.05     0.00  -0.00   0.00     0.00   0.00   0.00
    13   1    -0.06   0.01   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.02  -0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    15   1     0.01  -0.03   0.02     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1     0.02  -0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.45    -0.01   0.00  -0.00    -0.00   0.00   0.00
    18   1    -0.02  -0.26   0.35    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.31  -0.14   0.31     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.15  -0.29  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.31  -0.15  -0.09     0.00  -0.00   0.00    -0.00   0.00   0.00
    22   1     0.06  -0.27  -0.23    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00   0.01
    24   1     0.00  -0.00  -0.01    -0.04   0.01   0.01     0.00   0.00  -0.01
    25   1    -0.00   0.00   0.00     0.32   0.36   0.40     0.48   0.10  -0.02
    26   1    -0.00   0.00  -0.00     0.17   0.54  -0.27    -0.45  -0.12   0.13
    27   1     0.00  -0.00   0.00     0.18  -0.39  -0.15     0.15  -0.18   0.69
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1482.5115              1484.4332              1493.6480
 Red. masses --      1.0670                 1.0506                 1.0623
 Frc consts  --      1.3818                 1.3639                 1.3963
 IR Inten    --      0.7195                 0.0417                 5.8390
 RamAct Fr= 1--      3.5356                 8.1100                 3.7191
  Dep-P Fr= 1--      0.7443                 0.7395                 0.6855
  Dep-U Fr= 1--      0.8534                 0.8503                 0.8134
 Alpha2 Fr= 1--      0.0003                 0.0014                 0.0042
 Beta2  Fr= 1--      0.5029                 1.1493                 0.5042
 AlphaG Fr= 1--      0.0005                -0.0011                 0.0192
 Gamma2 Fr= 1--      1.6572                -2.3642                -0.2308
 Delta2 Fr= 1--      0.3082                -0.6499                 0.6566
 Raman1 Fr= 1--      14.142                 32.440                 14.877
 ROA1   Fr= 1--     168.955               -247.756                 -1.146
 CID1   Fr= 1--      11.947                 -7.637                 -0.077
 Raman2 Fr= 1--       6.035                 13.791                  6.050
 ROA2   Fr= 1--      37.307                -51.541                -10.791
 CID2   Fr= 1--       6.182                 -3.737                 -1.784
 Raman3 Fr= 1--      12.069                 27.583                 12.100
 ROA3   Fr= 1--     168.955               -247.756                 -1.146
 CID3   Fr= 1--      13.999                 -8.982                 -0.095
 RC180  Fr= 1--       0.707                  0.701                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.03   0.01   0.01    -0.01   0.02  -0.00
     2   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.01    -0.02  -0.00   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.02  -0.00    -0.03  -0.01  -0.03    -0.01  -0.02   0.03
     9   6    -0.05  -0.01  -0.01    -0.02  -0.01  -0.00    -0.02  -0.01  -0.01
    10   6    -0.02   0.03   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    12   1     0.24   0.14   0.30     0.12   0.07   0.15     0.14   0.11   0.17
    13   1     0.35   0.09  -0.19     0.17   0.05  -0.09     0.20   0.03  -0.10
    14   1     0.00  -0.02   0.00     0.01   0.00   0.01    -0.04   0.01  -0.01
    15   1     0.05  -0.25   0.15     0.02  -0.17   0.09     0.05  -0.26   0.16
    16   1     0.17  -0.16  -0.17     0.11  -0.10  -0.11     0.18  -0.17  -0.18
    17   1    -0.05   0.03  -0.21    -0.28   0.18   0.13     0.23  -0.15   0.10
    18   1     0.21   0.03   0.22    -0.34  -0.22  -0.11     0.03   0.12  -0.13
    19   1    -0.05   0.33   0.15     0.15  -0.04  -0.17    -0.06  -0.27  -0.01
    20   1    -0.23   0.02  -0.09     0.35   0.26   0.21     0.16  -0.26   0.00
    21   1     0.18  -0.09   0.02    -0.04  -0.05   0.41    -0.23   0.18  -0.33
    22   1    -0.18  -0.21   0.16     0.12  -0.10  -0.24     0.22   0.38  -0.14
    23   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9638              1505.2722              1508.2948
 Red. masses --      1.1018                 1.0553                 1.0800
 Frc consts  --      1.4645                 1.4088                 1.4475
 IR Inten    --      3.7668                 7.8643                 5.7831
 RamAct Fr= 1--      8.0921                 3.3225                 1.5310
  Dep-P Fr= 1--      0.4714                 0.7496                 0.7445
  Dep-U Fr= 1--      0.6407                 0.8569                 0.8535
 Alpha2 Fr= 1--      0.0454                 0.0000                 0.0001
 Beta2  Fr= 1--      0.8641                 0.4745                 0.2178
 AlphaG Fr= 1--     -0.0118                 0.0014                 0.0002
 Gamma2 Fr= 1--     -0.6780                 0.6635                 0.2034
 Delta2 Fr= 1--     -0.9581                -0.9462                 0.2216
 Raman1 Fr= 1--      32.368                 13.290                  6.124
 ROA1   Fr= 1--     -95.742                 33.419                 26.615
 CID1   Fr= 1--      -2.958                  2.515                  4.346
 Raman2 Fr= 1--      10.370                  5.694                  2.613
 ROA2   Fr= 1--      -8.606                 23.495                  3.108
 CID2   Fr= 1--      -0.830                  4.126                  1.189
 Raman3 Fr= 1--      20.739                 11.388                  5.227
 ROA3   Fr= 1--     -95.742                 33.419                 26.615
 CID3   Fr= 1--      -4.616                  2.934                  5.092
 RC180  Fr= 1--       0.281                  0.714                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.00  -0.03  -0.02    -0.03  -0.00   0.01
     2   6    -0.03   0.02  -0.01    -0.01  -0.04   0.00    -0.01  -0.00  -0.02
     3   6     0.02   0.01   0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     4   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.02    -0.03  -0.01   0.01    -0.01  -0.00  -0.02
     9   6    -0.04  -0.02  -0.01     0.01   0.01   0.00     0.04   0.02   0.01
    10   6     0.02  -0.05   0.00     0.00  -0.01  -0.00    -0.02   0.04   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.20   0.13   0.25    -0.02  -0.02  -0.03    -0.18  -0.12  -0.22
    13   1     0.28   0.09  -0.17    -0.02  -0.01   0.02    -0.25  -0.05   0.14
    14   1    -0.05  -0.03  -0.01    -0.02  -0.00  -0.00     0.03   0.02   0.01
    15   1    -0.05   0.34  -0.19    -0.01   0.10  -0.05     0.05  -0.28   0.16
    16   1    -0.21   0.19   0.24    -0.06   0.07   0.07     0.19  -0.16  -0.19
    17   1     0.31  -0.21   0.04    -0.16   0.10  -0.29     0.31  -0.21  -0.12
    18   1     0.20   0.20  -0.03     0.23  -0.04   0.34     0.29   0.25   0.01
    19   1    -0.15  -0.19   0.12    -0.05   0.49   0.19    -0.13  -0.06   0.13
    20   1     0.16   0.17   0.11     0.35  -0.07   0.12     0.16   0.25   0.13
    21   1     0.00  -0.05   0.25    -0.23   0.13  -0.02     0.00  -0.06   0.34
    22   1     0.04  -0.11  -0.12     0.25   0.24  -0.26     0.02  -0.16  -0.10
    23   1    -0.01  -0.00   0.00     0.01  -0.01   0.00     0.01   0.00  -0.01
    24   1    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00   0.00
    25   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.9731              1763.3000              3013.7268
 Red. masses --      6.8538                 8.4458                 1.0782
 Frc consts  --     11.3291                15.4719                 5.7699
 IR Inten    --    257.1682               111.8844                 8.4445
 RamAct Fr= 1--    576.7889                19.6219                74.4069
  Dep-P Fr= 1--      0.2717                 0.7484                 0.4293
  Dep-U Fr= 1--      0.4272                 0.8561                 0.6007
 Alpha2 Fr= 1--      6.4287                 0.0005                 0.4948
 Beta2  Fr= 1--     41.0713                 2.7996                 7.4490
 AlphaG Fr= 1--      2.6251                 0.0105                -0.5297
 Gamma2 Fr= 1--     30.6220                -1.7072                -1.9998
 Delta2 Fr= 1--      0.2353                -0.2691                -9.5731
 Raman1 Fr= 1--    2307.156                 78.488                297.628
 ROA1   Fr= 1--    2947.245               -172.505               -498.322
 CID1   Fr= 1--       1.277                 -2.198                 -1.674
 Raman2 Fr= 1--     492.856                 33.596                 89.388
 ROA2   Fr= 1--     733.046                -38.821                 28.588
 CID2   Fr= 1--       1.487                 -1.156                  0.320
 Raman3 Fr= 1--     985.712                 67.191                178.777
 ROA3   Fr= 1--    2947.245               -172.505               -498.322
 CID3   Fr= 1--       2.990                 -2.567                 -2.787
 RC180  Fr= 1--      -0.146                  0.712                  0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.02   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.06  -0.01   0.02     0.03  -0.01  -0.01     0.02  -0.01  -0.07
     4   6     0.42  -0.14  -0.14    -0.21   0.09   0.08     0.00   0.00  -0.00
     5   6    -0.40   0.13   0.13     0.20  -0.12  -0.08    -0.00  -0.00  -0.00
     6   6     0.10   0.25   0.04     0.05   0.58   0.14     0.00   0.00  -0.00
     7   8    -0.04  -0.17  -0.04    -0.05  -0.37  -0.08     0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01   0.01
     9   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00   0.01
    11   6     0.00  -0.01  -0.00    -0.00  -0.04  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    13   1     0.03   0.01  -0.01    -0.01   0.00   0.00     0.01   0.01   0.02
    14   1    -0.14  -0.00  -0.01     0.09   0.03   0.00    -0.28   0.12   0.90
    15   1    -0.02  -0.01  -0.03     0.01   0.01   0.01     0.04  -0.02  -0.06
    16   1     0.00   0.03   0.03    -0.00  -0.01  -0.01    -0.00   0.03  -0.03
    17   1     0.02  -0.01   0.00    -0.01   0.00   0.00    -0.01  -0.01  -0.00
    18   1     0.02   0.01  -0.00    -0.01  -0.00  -0.00    -0.01   0.01   0.00
    19   1    -0.02  -0.01   0.03     0.01  -0.00  -0.01     0.01  -0.00   0.01
    20   1     0.01   0.00   0.00    -0.00   0.00  -0.00     0.06   0.06  -0.16
    21   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.09  -0.14  -0.02
    22   1     0.01  -0.02  -0.02    -0.00  -0.00   0.00     0.12  -0.03   0.10
    23   1    -0.48  -0.11   0.09     0.24   0.09  -0.03    -0.00  -0.04  -0.01
    24   1     0.37   0.16  -0.03    -0.41  -0.14   0.05     0.00   0.01   0.00
    25   1     0.02  -0.06  -0.08     0.03  -0.11  -0.13    -0.00   0.00  -0.00
    26   1     0.04  -0.09   0.02     0.06  -0.16   0.03     0.00   0.00   0.00
    27   1    -0.06   0.10   0.04    -0.11   0.19   0.08    -0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3018.7105              3029.3449              3029.5849
 Red. masses --      1.0382                 1.0359                 1.0378
 Frc consts  --      5.5740                 5.6010                 5.6123
 IR Inten    --     35.2990                21.3312                 3.2202
 RamAct Fr= 1--    154.6989               220.8605               194.6220
  Dep-P Fr= 1--      0.0312                 0.0209                 0.0154
  Dep-U Fr= 1--      0.0605                 0.0410                 0.0304
 Alpha2 Fr= 1--      3.1951                 4.6734                 4.1715
 Beta2  Fr= 1--      1.5598                 1.5082                 0.9865
 AlphaG Fr= 1--     -0.8785                 0.2186                -0.6159
 Gamma2 Fr= 1--     -3.5165                 2.4226                -0.3291
 Delta2 Fr= 1--     -2.3291                 0.5261                 1.8782
 Raman1 Fr= 1--     618.795                883.442                778.488
 ROA1   Fr= 1--    -412.111                249.406                 28.508
 CID1   Fr= 1--      -0.666                  0.282                  0.037
 Raman2 Fr= 1--      18.718                 18.099                 11.838
 ROA2   Fr= 1--     -65.762                 53.934                -22.924
 CID2   Fr= 1--      -3.513                  2.980                 -1.936
 Raman3 Fr= 1--      37.436                 36.198                 23.676
 ROA3   Fr= 1--    -412.111                249.406                 28.508
 CID3   Fr= 1--     -11.009                  6.890                  1.204
 RC180  Fr= 1--      -0.879                 -0.918                 -0.939
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.01     0.01   0.02  -0.04    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.02    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.03  -0.04  -0.01    -0.01   0.01   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.04  -0.02
    12   1     0.03   0.00  -0.03    -0.05  -0.01   0.05     0.00   0.00  -0.00
    13   1     0.01   0.01   0.03    -0.02  -0.02  -0.07     0.00   0.00   0.00
    14   1    -0.08   0.03   0.25     0.02  -0.01  -0.08    -0.00  -0.00   0.00
    15   1     0.01  -0.01  -0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    16   1    -0.00   0.01  -0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    17   1    -0.07  -0.12  -0.01    -0.29  -0.46  -0.05     0.01   0.01   0.00
    18   1    -0.06   0.08   0.04    -0.28   0.35   0.19     0.01  -0.01  -0.01
    19   1     0.13  -0.03   0.09     0.50  -0.10   0.37    -0.01   0.00  -0.01
    20   1    -0.16  -0.15   0.43     0.04   0.04  -0.11    -0.00  -0.00   0.00
    21   1     0.30   0.46   0.06    -0.07  -0.11  -0.02     0.00   0.00   0.00
    22   1    -0.45   0.11  -0.34     0.10  -0.03   0.07    -0.00   0.00  -0.00
    23   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00   0.00
    24   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.02  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.02  -0.01    -0.07   0.50  -0.41
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02     0.15   0.24   0.60
    27   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.31  -0.20   0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3051.4533              3066.2845              3076.2809
 Red. masses --      1.0575                 1.0594                 1.1011
 Frc consts  --      5.8017                 5.8688                 6.1396
 IR Inten    --     46.2053                22.3661                16.4403
 RamAct Fr= 1--    193.0556               138.4462                51.3321
  Dep-P Fr= 1--      0.0935                 0.0496                 0.6746
  Dep-U Fr= 1--      0.1710                 0.0946                 0.8057
 Alpha2 Fr= 1--      3.4344                 2.7372                 0.0684
 Beta2  Fr= 1--      5.5013                 2.1817                 6.8932
 AlphaG Fr= 1--     -0.0957                 0.2313                 0.0948
 Gamma2 Fr= 1--      2.5767                 3.3445                -2.2295
 Delta2 Fr= 1--     -3.5991                -6.1365                 2.6780
 Raman1 Fr= 1--     772.222                553.785                205.328
 ROA1   Fr= 1--     132.192                124.706               -128.337
 CID1   Fr= 1--       0.171                  0.225                 -0.625
 Raman2 Fr= 1--      66.015                 26.181                 82.718
 ROA2   Fr= 1--      90.633                129.360                -74.931
 CID2   Fr= 1--       1.373                  4.941                 -0.906
 Raman3 Fr= 1--     132.030                 52.362                165.436
 ROA3   Fr= 1--     132.192                124.706               -128.337
 CID3   Fr= 1--       1.001                  2.382                 -0.776
 RC180  Fr= 1--      -0.658                 -0.811                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.01  -0.00     0.02   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.07  -0.03  -0.04
     9   6    -0.06  -0.02  -0.01    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.03  -0.06  -0.01     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.51   0.08  -0.52     0.13   0.02  -0.12    -0.00   0.00   0.00
    13   1     0.21   0.20   0.58    -0.00  -0.00   0.00     0.01   0.01   0.03
    14   1     0.01  -0.01  -0.05    -0.01   0.00   0.02    -0.00  -0.00   0.01
    15   1     0.03  -0.02  -0.05    -0.42   0.22   0.60    -0.01   0.00   0.01
    16   1    -0.01  -0.10   0.10     0.02   0.43  -0.44     0.00   0.02  -0.02
    17   1    -0.03  -0.05  -0.00    -0.02  -0.02  -0.00    -0.08  -0.13  -0.01
    18   1    -0.02   0.03   0.02     0.02  -0.03  -0.02    -0.01   0.03   0.02
    19   1     0.04  -0.01   0.03     0.05  -0.01   0.04    -0.11   0.03  -0.08
    20   1     0.00   0.00  -0.01     0.01   0.01  -0.02    -0.03  -0.02   0.02
    21   1    -0.03  -0.05  -0.01    -0.01  -0.02  -0.00     0.35   0.57   0.07
    22   1     0.04  -0.01   0.03    -0.01   0.00  -0.00     0.54  -0.16   0.41
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00  -0.01  -0.00
    24   1     0.00   0.00   0.00    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.3649              3085.1440              3088.1857
 Red. masses --      1.0984                 1.1019                 1.1012
 Frc consts  --      6.1448                 6.1796                 6.1878
 IR Inten    --      8.9887                23.6008                38.2279
 RamAct Fr= 1--     54.6122                50.2600                78.9842
  Dep-P Fr= 1--      0.7464                 0.7088                 0.7459
  Dep-U Fr= 1--      0.8548                 0.8296                 0.8544
 Alpha2 Fr= 1--      0.0033                 0.0359                 0.0055
 Beta2  Fr= 1--      7.7802                 6.9493                11.2480
 AlphaG Fr= 1--      0.0109                -0.0472                 0.0113
 Gamma2 Fr= 1--      0.4901                13.9337                15.9227
 Delta2 Fr= 1--     -1.3014                 5.6379                 9.9958
 Raman1 Fr= 1--     218.449                201.040                315.937
 ROA1   Fr= 1--       5.403               1518.047               1848.446
 CID1   Fr= 1--       0.025                  7.551                  5.851
 Raman2 Fr= 1--      93.363                 83.391                134.975
 ROA2   Fr= 1--      22.174                289.305                302.178
 CID2   Fr= 1--       0.238                  3.469                  2.239
 Raman3 Fr= 1--     186.725                166.782                269.951
 ROA3   Fr= 1--       5.403               1518.047               1848.446
 CID3   Fr= 1--       0.029                  9.102                  6.847
 RC180  Fr= 1--       0.710                  0.659                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.08  -0.02  -0.03
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.02   0.05  -0.07    -0.02  -0.01  -0.01
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.02    -0.00   0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    11   6    -0.02   0.02  -0.09    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.00  -0.00   0.00     0.07   0.01  -0.06     0.06   0.01  -0.05
    13   1     0.00   0.00   0.00    -0.05  -0.05  -0.14    -0.03  -0.03  -0.08
    14   1    -0.00   0.00   0.00    -0.01   0.00   0.03     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    16   1    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.06   0.06
    17   1     0.00   0.00   0.00     0.02   0.04   0.00     0.32   0.53   0.04
    18   1     0.00  -0.00  -0.00    -0.04   0.05   0.03     0.11  -0.16  -0.10
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.54  -0.12   0.42
    20   1     0.00   0.00  -0.00    -0.28  -0.24   0.75     0.01   0.01  -0.02
    21   1     0.00   0.00   0.00    -0.20  -0.31  -0.06     0.08   0.14   0.02
    22   1     0.00  -0.00   0.00     0.28  -0.06   0.19     0.11  -0.03   0.08
    23   1    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.03  -0.01
    24   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.08  -0.56   0.43     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.16   0.27   0.62     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1     0.00   0.01  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.0380              3097.5290              3115.2948
 Red. masses --      1.1075                 1.1009                 1.1076
 Frc consts  --      6.2507                 6.2237                 6.3335
 IR Inten    --     15.5652                32.2786                45.9316
 RamAct Fr= 1--    104.0840                25.0671                75.6192
  Dep-P Fr= 1--      0.5894                 0.5689                 0.5935
  Dep-U Fr= 1--      0.7417                 0.7252                 0.7449
 Alpha2 Fr= 1--      0.3115                 0.0857                 0.2200
 Beta2  Fr= 1--     12.8665                 3.0299                 9.3881
 AlphaG Fr= 1--      0.3028                 0.1318                 0.5678
 Gamma2 Fr= 1--    -28.2574                 6.5397                -2.5493
 Delta2 Fr= 1--     -0.9915                -1.5929                -3.7406
 Raman1 Fr= 1--     416.336                100.268                302.477
 ROA1   Fr= 1--   -2744.435                576.838               -364.428
 CID1   Fr= 1--      -6.592                  5.753                 -1.205
 Raman2 Fr= 1--     154.398                 36.359                112.658
 ROA2   Fr= 1--    -670.245                169.695                -31.257
 CID2   Fr= 1--      -4.341                  4.667                 -0.277
 Raman3 Fr= 1--     308.796                 72.718                225.315
 ROA3   Fr= 1--   -2744.435                576.838               -364.428
 CID3   Fr= 1--      -8.888                  7.933                 -1.617
 RC180  Fr= 1--       0.483                  0.450                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.03  -0.08  -0.02    -0.00   0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01  -0.08    -0.00  -0.00  -0.01    -0.01   0.00   0.04
    10   6    -0.01  -0.02   0.04    -0.00  -0.01   0.01    -0.03  -0.02   0.08
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.38  -0.07   0.37    -0.03  -0.01   0.03     0.24   0.04  -0.23
    13   1     0.23   0.21   0.58     0.03   0.03   0.08    -0.10  -0.09  -0.26
    14   1     0.01  -0.00  -0.03     0.00  -0.00  -0.02     0.02  -0.01  -0.07
    15   1     0.11  -0.06  -0.15     0.03  -0.02  -0.05     0.33  -0.19  -0.46
    16   1     0.01   0.28  -0.27     0.00   0.14  -0.13     0.01   0.46  -0.44
    17   1    -0.00   0.01   0.00     0.29   0.42   0.03    -0.03  -0.05  -0.00
    18   1     0.09  -0.12  -0.07    -0.47   0.57   0.34     0.07  -0.08  -0.05
    19   1     0.11  -0.02   0.09    -0.13   0.01  -0.11     0.02  -0.00   0.01
    20   1    -0.05  -0.04   0.14     0.01   0.01  -0.04     0.02   0.01  -0.05
    21   1    -0.04  -0.06  -0.01     0.02   0.03   0.01     0.01   0.01   0.00
    22   1     0.05  -0.01   0.03    -0.01   0.00  -0.00    -0.01   0.00  -0.01
    23   1     0.00   0.01   0.00    -0.00  -0.03  -0.01     0.00   0.00   0.00
    24   1     0.00   0.01   0.00    -0.00   0.00   0.00     0.00   0.04   0.01
    25   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3132.4104              3145.4259              3162.4221
 Red. masses --      1.0876                 1.1009                 1.0885
 Frc consts  --      6.2873                 6.4172                 6.4137
 IR Inten    --      2.4319                13.2164                 9.7929
 RamAct Fr= 1--     62.3397                89.6435                35.1978
  Dep-P Fr= 1--      0.1548                 0.5248                 0.2156
  Dep-U Fr= 1--      0.2681                 0.6884                 0.3547
 Alpha2 Fr= 1--      0.9520                 0.3923                 0.4585
 Beta2  Fr= 1--      2.7858                10.2844                 2.0806
 AlphaG Fr= 1--      0.4642                 0.1942                -0.4327
 Gamma2 Fr= 1--     -0.6117                 2.7272                 0.9336
 Delta2 Fr= 1--     -0.3479                 1.8474                 2.2819
 Raman1 Fr= 1--     249.359                358.574                140.791
 ROA1   Fr= 1--     -69.857                320.929                162.647
 CID1   Fr= 1--      -0.280                  0.895                  1.155
 Raman2 Fr= 1--      33.430                123.413                 24.967
 ROA2   Fr= 1--     -11.898                 50.674                  4.151
 CID2   Fr= 1--      -0.356                  0.411                  0.166
 Raman3 Fr= 1--      66.860                246.827                 49.934
 ROA3   Fr= 1--     -69.857                320.929                162.647
 CID3   Fr= 1--      -1.045                  1.300                  3.257
 RC180  Fr= 1--      -0.464                  0.377                 -0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08  -0.02     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     5   6    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.08  -0.02
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.07  -0.06  -0.00    -0.00  -0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.01   0.00   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.03   0.02   0.04
    16   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    17   1     0.02   0.03   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.01   0.02   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1     0.12   0.95   0.24     0.00   0.01   0.00     0.01   0.09   0.02
    24   1    -0.01  -0.08  -0.02    -0.00  -0.05  -0.01     0.06   0.96   0.25
    25   1     0.00  -0.00   0.00    -0.04   0.19  -0.16    -0.00   0.02  -0.02
    26   1    -0.00  -0.00  -0.00     0.05   0.08   0.23     0.00   0.01   0.02
    27   1    -0.01  -0.01   0.00     0.79   0.49  -0.05     0.03   0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   808.577473413.420373717.07857
           X            0.99972  -0.02293  -0.00628
           Y            0.02295   0.99973   0.00378
           Z            0.00619  -0.00392   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10712     0.02537     0.02330
 Rotational constants (GHZ):           2.23200     0.52872     0.48553
 Zero-point vibrational energy     621400.4 (Joules/Mol)
                                  148.51826 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.36   103.22   120.24   165.64   195.56
          (Kelvin)            231.06   308.76   348.55   364.88   387.10
                              406.13   508.63   535.01   579.39   691.22
                              778.35   834.87   857.16   917.53  1068.50
                             1128.72  1242.56  1259.52  1289.75  1319.93
                             1364.47  1381.83  1393.05  1410.66  1443.29
                             1452.82  1474.15  1510.44  1568.23  1663.48
                             1686.87  1705.56  1724.08  1762.32  1792.37
                             1823.78  1845.84  1886.41  1906.89  1931.30
                             1983.24  1994.10  2024.11  2048.61  2107.53
                             2121.23  2133.00  2135.77  2149.03  2160.99
                             2165.75  2170.10  2409.91  2537.00  4336.08
                             4343.25  4358.55  4358.90  4390.36  4411.70
                             4426.08  4433.40  4438.83  4443.21  4453.07
                             4456.65  4482.21  4506.84  4525.57  4550.02
 
 Zero-point correction=                           0.236679 (Hartree/Particle)
 Thermal correction to Energy=                    0.249236
 Thermal correction to Enthalpy=                  0.250180
 Thermal correction to Gibbs Free Energy=         0.197628
 Sum of electronic and zero-point Energies=           -465.874871
 Sum of electronic and thermal Energies=              -465.862314
 Sum of electronic and thermal Enthalpies=            -465.861370
 Sum of electronic and thermal Free Energies=         -465.913922
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.398             46.454            110.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.707
 Vibrational            154.620             40.493             38.929
 Vibration     1          0.594              1.983              5.563
 Vibration     2          0.598              1.967              4.105
 Vibration     3          0.600              1.960              3.805
 Vibration     4          0.608              1.937              3.181
 Vibration     5          0.614              1.917              2.860
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.645              1.819              2.004
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.665              1.757              1.705
 Vibration    10          0.673              1.730              1.602
 Vibration    11          0.681              1.706              1.520
 Vibration    12          0.730              1.568              1.150
 Vibration    13          0.744              1.530              1.072
 Vibration    14          0.768              1.464              0.953
 Vibration    15          0.837              1.293              0.709
 Vibration    16          0.896              1.159              0.563
 Vibration    17          0.937              1.074              0.485
 Vibration    18          0.954              1.041              0.457
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.125162D-90        -90.902527       -209.310803
 Total V=0       0.916473D+18         17.962120         41.359309
 Vib (Bot)       0.148026-104       -104.829663       -241.379219
 Vib (Bot)    1  0.603301D+01          0.780534          1.797247
 Vib (Bot)    2  0.287398D+01          0.458483          1.055697
 Vib (Bot)    3  0.246287D+01          0.391442          0.901329
 Vib (Bot)    4  0.177706D+01          0.249703          0.574962
 Vib (Bot)    5  0.149757D+01          0.175386          0.403842
 Vib (Bot)    6  0.125865D+01          0.099905          0.230039
 Vib (Bot)    7  0.923789D+00         -0.034427         -0.079271
 Vib (Bot)    8  0.808556D+00         -0.092290         -0.212505
 Vib (Bot)    9  0.768265D+00         -0.114489         -0.263621
 Vib (Bot)   10  0.718670D+00         -0.143471         -0.330353
 Vib (Bot)   11  0.680291D+00         -0.167305         -0.385235
 Vib (Bot)   12  0.520699D+00         -0.283413         -0.652582
 Vib (Bot)   13  0.488988D+00         -0.310702         -0.715417
 Vib (Bot)   14  0.441734D+00         -0.354840         -0.817048
 Vib (Bot)   15  0.348000D+00         -0.458421         -1.055553
 Vib (Bot)   16  0.292593D+00         -0.533737         -1.228974
 Vib (Bot)   17  0.262537D+00         -0.580809         -1.337362
 Vib (Bot)   18  0.251730D+00         -0.599064         -1.379397
 Vib (V=0)       0.108389D+05          4.034983          9.290893
 Vib (V=0)    1  0.655370D+01          0.816486          1.880030
 Vib (V=0)    2  0.341715D+01          0.533664          1.228806
 Vib (V=0)    3  0.301311D+01          0.479016          1.102974
 Vib (V=0)    4  0.234606D+01          0.370340          0.852739
 Vib (V=0)    5  0.207883D+01          0.317819          0.731806
 Vib (V=0)    6  0.185433D+01          0.268186          0.617521
 Vib (V=0)    7  0.155042D+01          0.190450          0.438527
 Vib (V=0)    8  0.145066D+01          0.161567          0.372022
 Vib (V=0)    9  0.141664D+01          0.151260          0.348289
 Vib (V=0)   10  0.137549D+01          0.138458          0.318811
 Vib (V=0)   11  0.134427D+01          0.128487          0.295853
 Vib (V=0)   12  0.122189D+01          0.087033          0.200400
 Vib (V=0)   13  0.119936D+01          0.078951          0.181791
 Vib (V=0)   14  0.116718D+01          0.067138          0.154590
 Vib (V=0)   15  0.110918D+01          0.045003          0.103624
 Vib (V=0)   16  0.107932D+01          0.033150          0.076330
 Vib (V=0)   17  0.106474D+01          0.027242          0.062726
 Vib (V=0)   18  0.105979D+01          0.025221          0.058074
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114657D+07          6.059402         13.952289
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001894   -0.000000058    0.000000503
      2        6          -0.000002077   -0.000001999   -0.000006228
      3        6           0.000000384    0.000000065    0.000007651
      4        6           0.000000217   -0.000000087   -0.000001656
      5        6          -0.000000359    0.000000185    0.000000581
      6        6          -0.000000498    0.000000281   -0.000001469
      7        8           0.000000459    0.000002700   -0.000003676
      8        6           0.000001214   -0.000000493    0.000001271
      9        6           0.000006648    0.000001630    0.000002585
     10        6          -0.000003629   -0.000000788   -0.000000086
     11        6           0.000001856    0.000001215    0.000002280
     12        1          -0.000000147   -0.000001215    0.000002219
     13        1          -0.000002750   -0.000002514    0.000001507
     14        1           0.000001361    0.000002209   -0.000000889
     15        1           0.000001162   -0.000000593    0.000001729
     16        1           0.000001157   -0.000000197    0.000002066
     17        1          -0.000001205   -0.000000979   -0.000001196
     18        1          -0.000001429   -0.000000967    0.000000216
     19        1          -0.000001986   -0.000002231    0.000000728
     20        1          -0.000000155    0.000000606    0.000000203
     21        1          -0.000000370    0.000000496   -0.000000952
     22        1          -0.000001759   -0.000000350    0.000000024
     23        1           0.000000247    0.000001157   -0.000001267
     24        1           0.000000399    0.000000245   -0.000000096
     25        1           0.000000073   -0.000000007   -0.000001950
     26        1          -0.000000581    0.000000580   -0.000002111
     27        1          -0.000000127    0.000001109   -0.000001985
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007651 RMS     0.000001912
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168875D+03 -0.336543D+01 -0.569112D+01
      2  -0.336543D+01  0.120975D+03  0.232457D+01
      3  -0.569112D+01  0.232457D+01  0.103457D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.760481D+00  0.538008D+01 -0.741854D+01
      2   0.354101D+02 -0.109790D+02  0.310061D+02
      3   0.223559D+02 -0.125906D+02  0.124694D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.674672D+02 -0.120730D+02  0.209561D+02
      2   0.165292D+02  0.178363D+02 -0.332518D+02
      3   0.509380D+02 -0.576334D+01  0.122956D+02
      4   0.648116D+01  0.239909D+02 -0.235274D+02
      5   0.306391D+02 -0.251267D+02  0.793285D+02
      6  -0.314020D+01 -0.275763D+01  0.127833D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.321375D+01  0.117694D+01 -0.392411D+01  0.474615D+00  0.353771D+01
      2   0.117694D+01  0.363548D+01  0.212369D+01  0.353771D+01  0.220313D+01
      3  -0.392411D+01  0.212369D+01 -0.322487D+01  0.214886D+01 -0.160435D+01
                 6             7             8             9            10 
      1   0.214886D+01 -0.364421D+01  0.263375D+01 -0.313793D+01  0.215169D+02
      2  -0.160435D+01  0.263375D+01 -0.106740D+01 -0.834243D+00 -0.243077D+01
      3  -0.152529D+01 -0.313793D+01 -0.834243D+00  0.379457D+00  0.325364D+01
                11            12            13            14            15 
      1  -0.243077D+01  0.325364D+01 -0.103442D+02 -0.196721D+01 -0.254686D+01
      2  -0.237210D+01 -0.198078D+01 -0.196721D+01 -0.446011D+01  0.101465D+01
      3  -0.198078D+01  0.331839D+01 -0.254686D+01  0.101465D+01  0.987241D+00
                16            17            18            19            20 
      1   0.129045D+02 -0.295374D+01  0.538480D+01 -0.366606D+02  0.206210D+01
      2  -0.295374D+01  0.190393D+01  0.517882D+00  0.206210D+01 -0.223993D+01
      3   0.538480D+01  0.517882D+00 -0.234778D+01  0.197700D+00  0.957648D+00
                21            22            23            24            25 
      1   0.197700D+00  0.842440D+01 -0.201921D+01  0.210530D+01 -0.382625D+01
      2   0.957648D+00 -0.201921D+01 -0.182640D+01 -0.150746D+01  0.217986D+01
      3  -0.292637D+01  0.210530D+01 -0.150746D+01  0.191595D+01 -0.647487D+01
                26            27            28            29            30 
      1   0.217986D+01 -0.647487D+01  0.547085D+02 -0.376653D+00 -0.332228D+01
      2  -0.211617D+01  0.137654D+01 -0.376653D+00  0.175249D+01 -0.710916D+00
      3   0.137654D+01  0.498212D+01 -0.332228D+01 -0.710916D+00  0.235959D+01
                31            32            33            34            35 
      1  -0.122803D+02  0.180726D+01  0.163790D-01 -0.134134D+02 -0.149201D+01
      2   0.180726D+01  0.259849D+01  0.139110D+01 -0.149201D+01  0.907944D+00
      3   0.163790D-01  0.139110D+01 -0.108654D+01  0.622970D+01 -0.206303D+00
                36            37            38            39            40 
      1   0.622970D+01 -0.499289D+02 -0.261008D+01  0.330339D+01  0.123410D+02
      2  -0.206303D+00 -0.261008D+01 -0.106022D+01  0.881508D+00 -0.351231D+01
      3  -0.405845D+01  0.330339D+01  0.881508D+00 -0.158956D+01 -0.617463D+00
                41            42            43            44            45 
      1  -0.351231D+01 -0.617463D+00  0.144473D+02  0.130023D+01 -0.480556D+01
      2  -0.213369D+01 -0.129553D+01  0.130023D+01 -0.135549D+01  0.741601D+00
      3  -0.129553D+01  0.190030D+01 -0.480556D+01  0.741601D+00  0.214032D+01
                46            47            48            49            50 
      1   0.184144D+02  0.320855D+01 -0.149856D+01  0.224093D+02  0.823440D+01
      2   0.320855D+01 -0.103016D+00  0.274953D+00  0.823440D+01  0.592166D+01
      3  -0.149856D+01  0.274953D+00 -0.707309D+00  0.743947D-01  0.384569D+00
                51            52            53            54            55 
      1   0.743947D-01  0.202363D+01  0.194983D+01 -0.821286D+00 -0.655227D+01
      2   0.384569D+00  0.194983D+01  0.109839D+01  0.660134D+00 -0.313552D+01
      3  -0.395727D+00 -0.821286D+00  0.660134D+00  0.648309D+00 -0.400303D+00
                56            57            58            59            60 
      1  -0.313552D+01 -0.400303D+00 -0.239046D+02 -0.962405D+01  0.498386D+00
      2  -0.165523D+01 -0.587951D+00 -0.962405D+01 -0.110782D+02 -0.693438D+00
      3  -0.587951D+00 -0.419438D+00  0.498386D+00 -0.693438D+00 -0.143780D+01
                61            62            63            64            65 
      1  -0.566883D+01 -0.208270D+01 -0.168695D+01 -0.609709D+01  0.201543D+01
      2  -0.208270D+01 -0.105710D+01 -0.283382D+01  0.201543D+01  0.291351D+01
      3  -0.168695D+01 -0.283382D+01 -0.133966D+01 -0.230868D+01  0.256280D+01
                66            67            68            69            70 
      1  -0.230868D+01  0.179376D+01  0.223628D+01  0.276390D+01 -0.407471D+01
      2   0.256280D+01  0.223628D+01  0.362731D+01 -0.108064D+00  0.271091D+01
      3  -0.289111D+01  0.276390D+01 -0.108064D+00 -0.165325D+01 -0.388487D+01
                71            72            73            74            75 
      1   0.271091D+01 -0.388487D+01 -0.272264D+01 -0.231302D+01  0.157587D+01
      2  -0.527848D+00 -0.786148D+00 -0.231302D+01  0.177390D+01 -0.693580D+00
      3  -0.786148D+00  0.419187D+01  0.157587D+01 -0.693580D+00 -0.278233D+01
                76            77            78            79            80 
      1  -0.349502D+01  0.215815D+01 -0.159411D+01 -0.382647D+00 -0.119771D+01
      2   0.215815D+01  0.550173D+01 -0.348921D+00 -0.119771D+01 -0.899234D+00
      3  -0.159411D+01 -0.348921D+00 -0.158343D+01 -0.472182D+01 -0.223775D+01
                81            82            83            84            85 
      1  -0.472182D+01 -0.298200D+01  0.185717D+01 -0.224884D+01  0.239936D+01
      2  -0.223775D+01  0.185717D+01  0.177175D+01  0.156185D+01  0.228222D+01
      3  -0.147792D+01 -0.224884D+01  0.156185D+01  0.886077D+00  0.117586D+01
                86            87            88            89            90 
      1   0.228222D+01  0.117586D+01 -0.228840D+01  0.166853D+01  0.130884D+01
      2  -0.120973D+01  0.288313D+01  0.166853D+01  0.395071D+01 -0.245246D+01
      3   0.288313D+01 -0.204689D+01  0.130884D+01 -0.245246D+01 -0.468586D+00
                91            92            93            94            95 
      1   0.250472D+01  0.438430D+01  0.714374D+00  0.731361D+01  0.272738D+01
      2   0.438430D+01  0.685223D+00 -0.155815D+01  0.272738D+01 -0.388689D+01
      3   0.714374D+00 -0.155815D+01 -0.118665D+01 -0.159112D+01  0.772074D+00
                96            97            98            99           100 
      1  -0.159112D+01  0.158125D+01 -0.155642D+01  0.139726D-01  0.646498D+01
      2   0.772074D+00 -0.155642D+01  0.126085D+01 -0.362707D+01  0.180057D+01
      3  -0.306502D+01  0.139726D-01 -0.362707D+01 -0.314049D+01 -0.255571D+01
               101           102           103           104           105 
      1   0.180057D+01 -0.255571D+01  0.714518D+00  0.984890D+00 -0.254879D+00
      2   0.151894D+01 -0.547243D+00  0.984890D+00  0.414345D+00 -0.577062D+00
      3  -0.547243D+00  0.218133D+01 -0.254879D+00 -0.577062D+00  0.497353D+00
               106           107           108           109           110 
      1  -0.473151D+01 -0.905027D+00  0.289440D+01  0.272092D+01  0.150580D+01
      2  -0.905027D+00 -0.153165D+01  0.113481D+01  0.150580D+01  0.853190D+00
      3   0.289440D+01  0.113481D+01 -0.260638D+01  0.166576D+01  0.794947D+00
               111           112           113           114           115 
      1   0.166576D+01  0.862832D+00  0.124916D+01  0.962947D+00  0.420297D+01
      2   0.794947D+00  0.124916D+01  0.147876D+01  0.136480D+01  0.191058D+01
      3   0.189463D+01  0.962947D+00  0.136480D+01  0.139443D+01  0.383929D+01
               116           117           118           119           120 
      1   0.191058D+01  0.383929D+01  0.547560D+01 -0.743099D+00 -0.174761D+01
      2   0.256354D+01  0.220324D+01 -0.743099D+00  0.539289D+00 -0.150723D-01
      3   0.220324D+01  0.529345D+01 -0.174761D+01 -0.150723D-01  0.186965D+01
               121           122           123           124           125 
      1  -0.449800D+01  0.847639D+00  0.534942D-01 -0.374124D+01 -0.234527D+00
      2   0.847639D+00 -0.871441D-01 -0.953601D+00 -0.234527D+00 -0.131590D+01
      3   0.534942D-01 -0.953601D+00 -0.969436D+00  0.345985D+01 -0.750923D+00
               126           127           128           129           130 
      1   0.345985D+01 -0.223115D+01  0.333873D+00  0.105369D+01  0.438784D+00
      2  -0.750923D+00  0.333873D+00 -0.172204D+01 -0.798540D+00 -0.957184D+00
      3  -0.833675D+01  0.105369D+01 -0.798540D+00 -0.136470D+01 -0.522174D+00
               131           132           133           134           135 
      1  -0.957184D+00 -0.522174D+00  0.195068D+01 -0.727835D+00 -0.973521D+00
      2   0.209835D+01  0.746815D+00 -0.727835D+00  0.191617D+01  0.164094D+01
      3   0.746815D+00  0.109166D+01 -0.973521D+00  0.164094D+01  0.285716D+01
               136           137           138           139           140 
      1   0.679361D+00  0.997508D+00 -0.381948D+00  0.466616D+00  0.158702D+00
      2   0.997508D+00 -0.422360D-01 -0.113244D+00  0.158702D+00  0.711818D+01
      3  -0.381948D+00 -0.113244D+00 -0.992595D-01 -0.116443D+00 -0.325758D+01
               141           142           143           144           145 
      1  -0.116443D+00 -0.102158D+01 -0.313365D+00 -0.233610D+00 -0.191236D+01
      2  -0.325758D+01 -0.313365D+00 -0.477355D+01  0.333753D+01 -0.160342D+01
      3   0.236847D+01 -0.233610D+00  0.333753D+01 -0.316368D+01  0.562232D+00
               146           147           148           149           150 
      1  -0.160342D+01  0.562232D+00 -0.172990D+01 -0.199598D+01  0.123510D+00
      2  -0.268972D+01  0.474963D+00 -0.199598D+01 -0.568888D+01  0.140878D+01
      3   0.474963D+00 -0.763212D+00  0.123510D+00  0.140878D+01 -0.159615D+01
               151           152           153           154           155 
      1  -0.168710D+00 -0.845532D-01 -0.185122D+00 -0.214703D+01  0.910441D+00
      2  -0.845532D-01  0.743278D-01 -0.579378D+00  0.910441D+00 -0.158612D+01
      3  -0.185122D+00 -0.579378D+00  0.285240D+00  0.133578D+01 -0.682336D+00
               156           157           158           159           160 
      1   0.133578D+01  0.149799D+01 -0.135537D+01 -0.848644D+00  0.118961D+01
      2  -0.682336D+00 -0.135537D+01  0.218092D+01  0.110811D+01 -0.727674D+00
      3  -0.166822D+01 -0.848644D+00  0.110811D+01  0.254698D+01 -0.817671D+00
               161           162           163           164           165 
      1  -0.727674D+00 -0.817671D+00  0.530781D+01 -0.138738D+01  0.362950D+01
      2   0.111961D+01  0.112162D+01 -0.138738D+01  0.121216D+01 -0.135658D+01
      3   0.112162D+01  0.255285D+01  0.362950D+01 -0.135658D+01  0.432319D+01
               166           167           168           169           170 
      1  -0.514658D+00  0.663529D+00 -0.723994D+00  0.247292D+01 -0.101159D+01
      2   0.663529D+00 -0.111097D+01  0.118566D+01 -0.101159D+01  0.109211D+01
      3  -0.723994D+00  0.118566D+01 -0.715293D+00  0.307349D+01 -0.116346D+01
               171           172           173           174           175 
      1   0.307349D+01  0.248216D+01 -0.170646D+00 -0.161130D+01  0.107129D+01
      2  -0.116346D+01 -0.170646D+00  0.150840D+00 -0.220917D+00 -0.461618D-01
      3   0.457277D+01 -0.161130D+01 -0.220917D+00  0.216063D+01 -0.852358D+00
               176           177           178           179           180 
      1  -0.461618D-01 -0.852358D+00 -0.262213D+01  0.150796D+00  0.318690D+01
      2   0.456804D+00 -0.770994D+00  0.150796D+00 -0.148980D+01 -0.165468D-01
      3  -0.770994D+00  0.150090D+01  0.318690D+01 -0.165468D-01 -0.670246D+01
               181           182           183           184           185 
      1  -0.108637D+01 -0.104826D+01  0.786340D-01 -0.170080D+01 -0.576552D+00
      2  -0.104826D+01 -0.335828D+01 -0.790100D+00 -0.576552D+00 -0.777557D+01
      3   0.786340D-01 -0.790100D+00 -0.641163D+00 -0.207746D+00 -0.122731D+01
               186           187           188           189           190 
      1  -0.207746D+00  0.307978D+00 -0.410929D+00  0.188478D+00  0.799571D+01
      2  -0.122731D+01 -0.410929D+00 -0.751676D+00 -0.102978D+01 -0.305245D+01
      3  -0.122454D+01  0.188478D+00 -0.102978D+01 -0.892698D+00  0.200014D+01
               191           192           193           194           195 
      1  -0.305245D+01  0.200014D+01 -0.145391D+01  0.159080D+01 -0.725667D+00
      2   0.188179D+01 -0.816082D+00  0.159080D+01 -0.184126D+01  0.549096D+00
      3  -0.816082D+00  0.196717D+01 -0.725667D+00  0.549096D+00 -0.317222D+00
               196           197           198           199           200 
      1   0.488072D+01 -0.199454D+01  0.227621D+01  0.408991D+00 -0.869032D+00
      2  -0.199454D+01  0.183077D+01 -0.757456D+00 -0.869032D+00 -0.336097D+00
      3   0.227621D+01 -0.757456D+00  0.165021D+01 -0.523419D+00 -0.104829D+00
               201           202           203           204           205 
      1  -0.523419D+00 -0.221054D+01 -0.228320D-01  0.272666D+00 -0.192107D+01
      2  -0.104829D+00 -0.228320D-01 -0.560735D+01 -0.161410D+01  0.359646D+00
      3  -0.656629D-01  0.272666D+00 -0.161410D+01 -0.159792D+01 -0.768908D+00
               206           207           208           209           210 
      1   0.359646D+00 -0.768908D+00 -0.887886D+00  0.125409D+01  0.583886D+00
      2  -0.125730D+01 -0.113635D+01  0.125409D+01  0.182253D+00 -0.119432D+00
      3  -0.113635D+01 -0.804269D+00  0.583886D+00 -0.119432D+00 -0.158108D+00
               211           212           213           214           215 
      1   0.245512D+01 -0.349763D+00 -0.325036D+00  0.878020D+00 -0.472275D+00
      2  -0.349763D+00  0.581224D+01  0.107336D+01 -0.472275D+00  0.132949D+01
      3  -0.325036D+00  0.107336D+01  0.100477D+01  0.305633D+00  0.608574D+00
               216           217           218           219           220 
      1   0.305633D+00 -0.240695D+01  0.510471D+00 -0.728829D+00  0.316456D+01
      2   0.608574D+00  0.510471D+00 -0.667679D+00  0.564991D+00 -0.299234D+01
      3   0.239145D+00 -0.728829D+00  0.564991D+00 -0.261344D+00  0.390067D+00
               221           222           223           224           225 
      1  -0.299234D+01  0.390067D+00 -0.256635D+01  0.161325D+01 -0.109882D+01
      2   0.606103D+01 -0.167789D+01  0.161325D+01 -0.304905D+01  0.227796D+01
      3  -0.167789D+01  0.235235D+01 -0.109882D+01  0.227796D+01 -0.187354D+01
               226           227           228           229           230 
      1  -0.464515D+00 -0.384259D+00  0.520966D+00  0.118535D+01 -0.124216D+01
      2  -0.384259D+00  0.555595D+00  0.619940D+00 -0.124216D+01  0.262866D+01
      3   0.520966D+00  0.619940D+00  0.100640D+01 -0.314236D+00  0.166352D+01
               231           232           233           234           235 
      1  -0.314236D+00  0.300366D+01 -0.592170D+00 -0.138568D+01 -0.938664D+01
      2   0.166352D+01 -0.592170D+00  0.219503D+01  0.282375D+01 -0.189262D+01
      3   0.231372D+01 -0.138568D+01  0.282375D+01  0.684133D+01  0.776005D+00
               236           237           238           239           240 
      1  -0.189262D+01  0.776005D+00 -0.488122D+01 -0.181698D+01  0.654962D+00
      2  -0.159374D+01  0.278459D+00 -0.181698D+01 -0.139546D+01  0.906217D-01
      3   0.278459D+00 -0.121776D+01  0.654962D+00  0.906217D-01 -0.659619D+00
               241           242           243 
      1   0.227726D+00  0.279675D+00 -0.116492D+01
      2   0.279675D+00 -0.507262D-01 -0.328869D-01
      3  -0.116492D+01 -0.328869D-01  0.578450D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.252500D+01  0.107397D+02  0.180013D+01  0.107313D+02  0.378362D+01
      2  -0.710626D+01  0.428246D+00  0.538490D+01  0.226218D+01 -0.109573D+02
      3  -0.952982D+00 -0.994674D+01  0.105270D+01 -0.509428D+01 -0.801376D+01
                 6             7             8             9            10 
      1  -0.768541D+01  0.221923D+01 -0.155001D+01 -0.341012D+01  0.583508D+01
      2  -0.721774D+01 -0.129810D+01 -0.590288D+01  0.614258D+01  0.243467D+02
      3  -0.161801D+00 -0.134781D+01 -0.449416D+00  0.404001D+01  0.428890D+01
                11            12            13            14            15 
      1  -0.473385D+01  0.182533D+01 -0.310436D+01 -0.376969D-01 -0.340592D+01
      2  -0.660212D+01  0.117344D+02 -0.151068D+02  0.504404D+01  0.266045D+01
      3   0.455095D+01  0.195997D+01  0.102878D+02  0.145088D+02 -0.126617D+01
                16            17            18            19            20 
      1   0.898742D+00  0.550481D+01 -0.105716D+01 -0.675882D+01  0.309288D+01
      2   0.138787D+02  0.195905D+01 -0.279315D+01 -0.265506D+02  0.364282D+01
      3   0.410224D+01 -0.422503D+00 -0.348909D+01 -0.598587D+01 -0.428027D+01
                21            22            23            24            25 
      1  -0.235987D+01  0.161626D+01  0.542942D+01 -0.115902D+01 -0.175471D+01
      2   0.111273D+01  0.112270D+02 -0.364455D+01  0.427377D+01 -0.169841D+02
      3   0.592100D+00  0.881429D+01 -0.110678D+01  0.928997D+00  0.111125D+01
                26            27            28            29            30 
      1   0.384262D+01 -0.303991D+01  0.614678D+01 -0.728594D+00  0.156860D+01
      2   0.318521D+01 -0.331727D+01  0.310523D+02  0.252293D+00 -0.752788D+01
      3   0.108018D+01 -0.133624D+01  0.123998D+02  0.346221D+01 -0.253987D+01
                31            32            33            34            35 
      1   0.191289D+01 -0.327542D+01 -0.382625D+00 -0.191664D+01  0.251567D+01
      2  -0.595638D+01  0.114731D+01  0.446210D+00 -0.385917D+02 -0.652751D+00
      3   0.108258D+02  0.122561D+01 -0.364834D+00 -0.771237D+01 -0.186739D+01
                36            37            38            39            40 
      1   0.275479D+01 -0.170819D+01  0.354465D-01 -0.905052D-01  0.249665D+01
      2   0.792245D+01 -0.298347D+02 -0.234160D+01  0.110768D+02  0.646654D+01
      3   0.169841D+01 -0.214215D+02 -0.118498D+02  0.263268D+01  0.105071D+02
                41            42            43            44            45 
      1  -0.744612D+00  0.589957D-01  0.907043D+01  0.497160D+01 -0.107648D+01
      2  -0.267146D+00 -0.689781D+00  0.163316D+02 -0.151140D+01 -0.818469D+01
      3  -0.431901D+01 -0.315497D+01  0.726125D+01 -0.716977D+00 -0.500002D+00
                46            47            48            49            50 
      1  -0.103873D+01  0.278702D+01 -0.196730D+01  0.268255D+01 -0.190193D+01
      2   0.516345D+01  0.464854D+01 -0.122087D+02  0.113648D+02  0.119320D+01
      3   0.547790D+01  0.486134D+01 -0.165955D+01  0.370975D+02  0.253475D+02
                51            52            53            54            55 
      1   0.399397D+01  0.394666D+01  0.765041D+01  0.348222D+01  0.203149D+01
      2  -0.768942D+01 -0.235060D+02 -0.557255D+00  0.416240D+01 -0.113720D+01
      3  -0.102529D+01 -0.145664D+00  0.339454D+01  0.190408D+01 -0.243024D+01
                56            57            58            59            60 
      1  -0.519873D+00 -0.220296D-01 -0.396085D+00  0.358628D+00 -0.903004D+01
      2   0.130269D+00  0.736912D+01 -0.106283D+02 -0.840055D+00  0.121029D+02
      3  -0.948201D+01 -0.180579D+01 -0.207677D+02 -0.414478D+02 -0.218048D+01
                61            62            63            64            65 
      1   0.257053D+00  0.110976D+01 -0.216512D+01 -0.509044D+01  0.359524D+01
      2   0.533102D+01  0.669777D+01  0.295993D+01 -0.101939D+02  0.102026D+02
      3  -0.416496D+01 -0.509104D+01 -0.781774D+01  0.174263D+01 -0.168440D+02
                66            67            68            69            70 
      1  -0.739889D+01  0.345484D+01 -0.297899D+01 -0.425524D+01 -0.102342D+02
      2  -0.917981D+01  0.917574D+01  0.745535D+00 -0.327210D+01 -0.171392D+02
      3  -0.543147D+01 -0.612301D+01 -0.192546D+02 -0.451648D+01 -0.426646D+01
                71            72            73            74            75 
      1   0.155845D+01  0.847927D+01 -0.385178D+01  0.298635D+01  0.387213D+01
      2  -0.319065D-02  0.115548D+02  0.220099D+01 -0.142103D+01 -0.866160D+01
      3  -0.459944D+01  0.902359D+01  0.795297D+01 -0.142712D+02  0.717563D+01
                76            77            78            79            80 
      1   0.191250D+01  0.311594D+01  0.614757D+00  0.786865D+01  0.616278D+01
      2  -0.478322D+01 -0.183139D+01 -0.590611D+01 -0.215808D+02 -0.858832D+01
      3  -0.720414D+01 -0.147745D+02  0.108943D+00  0.760679D+01 -0.756403D+00
                81            82            83            84            85 
      1   0.193353D+01  0.489218D+01 -0.569547D+01 -0.268266D+01 -0.799191D+01
      2  -0.578886D+01 -0.441662D+01  0.242108D+01  0.244472D+01  0.512117D+01
      3   0.186315D+01 -0.103921D+02 -0.927701D+00 -0.827710D+01  0.669368D+01
                86            87            88            89            90 
      1  -0.985942D+01  0.109792D+01 -0.207184D+01  0.848923D+01  0.126940D+01
      2   0.371890D+01 -0.104452D+01 -0.179853D+01 -0.142736D+00 -0.170652D+00
      3   0.515506D+01  0.819952D+00 -0.111218D+02  0.271479D+00  0.635885D+01
                91            92            93            94            95 
      1   0.602325D+00  0.149148D+01  0.242086D+01  0.445044D+01 -0.342610D+01
      2  -0.466561D+01  0.524452D+01  0.114938D+02  0.682524D+01 -0.501233D+01
      3   0.186460D+02  0.234459D+01 -0.564659D+01  0.193118D+02 -0.141927D+02
                96            97            98            99           100 
      1   0.934686D+00 -0.634533D+01  0.874607D+01  0.190089D+01  0.359013D+01
      2   0.120010D+02 -0.988738D+01  0.207058D+02  0.150542D+02 -0.789757D+01
      3   0.171987D+01 -0.539448D+01  0.517865D+01 -0.161715D+02  0.381639D+01
               101           102           103           104           105 
      1  -0.248812D+00 -0.358088D+01  0.492212D+00  0.669461D+00 -0.164383D+01
      2  -0.144666D+01  0.924345D+01 -0.114809D+01 -0.163605D+01  0.186881D+01
      3  -0.425910D+01 -0.194398D+01  0.765800D-01  0.572177D+00  0.140618D+01
               106           107           108           109           110 
      1  -0.374120D+01  0.280358D+00  0.398624D+01 -0.184528D+01 -0.166722D+00
      2   0.668886D+01  0.304517D+01 -0.888493D+01  0.286882D+01  0.218317D+01
      3  -0.379991D+01  0.511048D+01  0.480600D+00  0.171014D+00 -0.217237D+01
               111           112           113           114           115 
      1  -0.290149D+01 -0.164266D+01 -0.116895D+01 -0.280842D+01 -0.459038D+01
      2   0.710581D+01  0.169479D+01  0.436062D+01  0.471702D+01  0.882746D+01
      3  -0.322632D+00 -0.287056D-02 -0.291946D+01 -0.256278D+01 -0.776819D-01
               116           117           118           119           120 
      1   0.819395D+00 -0.789141D+01  0.809100D+00 -0.153138D+01 -0.376569D+00
      2   0.644960D+01  0.170669D+02  0.418964D+01 -0.119805D+01  0.134697D+01
      3  -0.708167D+01 -0.177987D+01  0.150977D+01 -0.175533D+01 -0.634169D+00
               121           122           123           124           125 
      1  -0.283015D+01 -0.805064D-01  0.394876D+00  0.101906D+01  0.413924D+01
      2  -0.487814D+01  0.536992D+00 -0.661033D+00 -0.388595D+01 -0.797471D+00
      3   0.124453D+01 -0.266814D+00  0.553354D+00 -0.865680D+00  0.168947D+01
               126           127           128           129           130 
      1   0.293040D+01 -0.297465D+01  0.178744D+01  0.417781D+01  0.170191D+01
      2  -0.428698D+01  0.259110D+01 -0.739384D+00 -0.323138D+00 -0.920566D+00
      3   0.111292D+01 -0.856417D+01  0.155454D+01  0.450699D+01  0.358663D+01
               131           132           133           134           135 
      1  -0.165446D+01 -0.368157D+01  0.295355D+01 -0.196906D+01 -0.840284D+01
      2   0.928420D+00  0.785704D+00 -0.331848D+01  0.177095D+01  0.237903D+01
      3  -0.512941D+01 -0.257281D+01  0.784318D+01 -0.402007D+01 -0.585913D+01
               136           137           138           139           140 
      1   0.105861D+00  0.539356D+00  0.492445D+00 -0.375106D+00  0.351072D+01
      2   0.133209D+00  0.177943D+00  0.474550D+00  0.105982D+01 -0.300864D+01
      3  -0.127246D+01  0.946797D+00 -0.324536D+00  0.488160D+01 -0.995251D+01
               141           142           143           144           145 
      1  -0.660783D+01  0.771943D+00 -0.362997D+01  0.685579D+01 -0.327545D+01
      2   0.226737D+01 -0.240591D+01  0.321047D+01 -0.329221D+01  0.621617D+01
      3   0.439724D+01 -0.273373D+01  0.573036D+01 -0.542839D+01  0.715363D+01
               146           147           148           149           150 
      1  -0.554455D+01 -0.130355D+01 -0.460742D+01 -0.940334D+01 -0.202122D+01
      2   0.424384D+01 -0.124246D+01  0.512750D+01  0.742652D+01 -0.184562D+01
      3   0.517145D+01 -0.118544D+01  0.832861D+01  0.107540D+02 -0.259616D+01
               151           152           153           154           155 
      1  -0.912172D+00  0.770103D+00 -0.132029D+01  0.399559D+01 -0.565893D+01
      2  -0.142311D+01 -0.754955D+00  0.790127D+00  0.943180D+01 -0.394979D+01
      3   0.107582D+01  0.239333D+00  0.136607D+01 -0.279464D+00  0.281078D+00
               156           157           158           159           160 
      1  -0.214895D+01 -0.454327D+01  0.762872D+01  0.205478D+01 -0.228989D+01
      2  -0.390344D+01 -0.636989D+01  0.569346D+01  0.534696D+01 -0.535461D+01
      3  -0.175529D+00  0.243892D+01 -0.934742D+00 -0.843536D+00  0.399760D+00
               161           162           163           164           165 
      1   0.454829D+01  0.374991D+01  0.106320D+01  0.210428D+01  0.222356D+01
      2   0.360359D+01  0.544631D+01 -0.340998D+01 -0.552192D+00  0.422499D+01
      3  -0.196542D+00 -0.904551D+00 -0.198584D+01 -0.295745D+01 -0.217989D+00
               166           167           168           169           170 
      1   0.163140D+00 -0.100124D+01  0.758772D-01  0.113115D+01  0.280122D+01
      2   0.784127D+00  0.147836D+01  0.131757D+00 -0.326760D+01 -0.242997D-01
      3   0.405021D+00  0.185306D+01 -0.130618D+01 -0.178918D+01 -0.185634D+01
               171           172           173           174           175 
      1   0.281997D+01 -0.257066D+01 -0.120326D+01  0.403405D+01 -0.780865D+00
      2   0.355784D+01 -0.301225D+01 -0.719867D+00  0.700191D+01 -0.107045D+01
      3  -0.733379D+00 -0.264629D+01 -0.128587D+01  0.320147D+01  0.173459D-01
               176           177           178           179           180 
      1  -0.251165D+01  0.194099D+01  0.470744D+01  0.442750D+01 -0.109593D+02
      2  -0.253475D+01  0.447933D+01  0.518283D+01  0.614980D+00 -0.195078D+02
      3  -0.198324D+01  0.336250D+01  0.343499D+01  0.597098D+01 -0.481292D+01
               181           182           183           184           185 
      1   0.843487D+00  0.471378D+00 -0.177245D+01  0.310534D+00  0.240970D+01
      2  -0.113977D+01 -0.285574D+01 -0.713073D+00 -0.213352D+01 -0.438508D+01
      3   0.791742D+01  0.117762D+02  0.222682D+01  0.815993D+01  0.264727D+02
               186           187           188           189           190 
      1  -0.400867D+01  0.299965D+00  0.124188D+00 -0.133942D+01  0.524298D+01
      2  -0.317788D+01 -0.415228D+00 -0.301850D+01 -0.229232D+01  0.985597D+01
      3   0.449898D+01  0.152985D+01  0.360590D+01  0.295381D+01 -0.369169D+01
               191           192           193           194           195 
      1  -0.194241D+01  0.477358D+01 -0.224762D+01  0.164142D+01 -0.184201D+01
      2  -0.429168D+01  0.103176D+02 -0.361606D+01  0.273407D+01 -0.198523D+01
      3  -0.395786D+01 -0.639271D+00 -0.377921D+00  0.406308D+01 -0.431329D+00
               196           197           198           199           200 
      1   0.421903D+01 -0.411106D+00  0.355830D+01 -0.653748D+00  0.554555D+00
      2   0.801476D+01 -0.289462D+01  0.771435D+01  0.681769D+00 -0.587500D+00
      3  -0.622041D+00 -0.397638D+01 -0.114657D+01  0.114037D+01  0.205675D+00
               201           202           203           204           205 
      1  -0.727868D+00  0.120288D+01  0.534145D+01 -0.267752D+01 -0.601360D+01
      2   0.120437D+00 -0.244622D+01 -0.441339D+00  0.160112D+01 -0.175032D+01
      3  -0.275611D+00  0.473039D+01 -0.324135D+01  0.204143D+00  0.142762D+01
               206           207           208           209           210 
      1   0.124435D+01  0.398892D+00 -0.179687D+01  0.163864D+00  0.238057D+00
      2   0.112014D+01  0.896742D-01 -0.385923D+01  0.170935D+00  0.646341D+00
      3  -0.812569D-01 -0.142336D+01  0.362584D+01  0.161044D+01  0.204993D+00
               211           212           213           214           215 
      1   0.176663D+01 -0.854017D+00 -0.398854D+01 -0.635010D+01  0.397149D+00
      2   0.238031D+01 -0.280961D+01 -0.257431D+01 -0.969167D+01 -0.160861D+01
      3   0.515441D+01  0.109863D+02  0.205558D+01  0.125877D+01  0.219516D+01
               216           217           218           219           220 
      1   0.152439D-01  0.200317D+00 -0.831017D+00  0.675019D+00 -0.243046D+01
      2   0.443456D+00  0.119275D+01 -0.218777D+01  0.272546D+01 -0.366681D+01
      3   0.117773D+01  0.416204D+00 -0.342121D+01  0.170527D+01 -0.784233D+01
               221           222           223           224           225 
      1   0.462423D+01 -0.454314D+01  0.260617D+01 -0.276457D+01  0.334764D+01
      2   0.946411D+01 -0.100717D+02  0.709441D+01 -0.113178D+02  0.813772D+01
      3   0.232652D+02 -0.702418D+01  0.427292D+01 -0.122420D+02  0.896521D+01
               226           227           228           229           230 
      1   0.469710D+00 -0.272727D+00 -0.108565D+01 -0.429595D-01  0.156535D-01
      2   0.296880D-02 -0.353633D+01 -0.508365D+01  0.149184D+00 -0.736865D+01
      3  -0.454415D+00  0.863237D+00  0.287662D+01 -0.261694D+01  0.953160D+01
               231           232           233           234           235 
      1  -0.239761D+01  0.160022D+01  0.125717D+00 -0.531613D+01 -0.173863D+01
      2  -0.994679D+01  0.401238D+01 -0.131077D+02 -0.301801D+02  0.450631D+00
      3   0.663722D+01  0.102131D+01  0.870488D+01  0.109497D+02 -0.145008D+02
               236           237           238           239           240 
      1  -0.127143D+01  0.317078D+00 -0.105645D+01 -0.792891D+00 -0.756583D+00
      2  -0.154303D+00  0.674799D+01 -0.913978D+00  0.265380D+00  0.339985D+01
      3  -0.107068D+02  0.178196D+01 -0.809435D+01 -0.788133D+01  0.470571D+00
               241           242           243 
      1   0.969725D+00  0.585026D+00 -0.342021D+00
      2   0.249814D+01  0.202718D+00 -0.187928D+01
      3   0.169606D+01  0.186035D+00 -0.491367D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.585810D+01  0.511259D+01 -0.874835D+01  0.208465D+01  0.191201D+02
      2   0.685016D+01 -0.178088D+02  0.117878D+02 -0.139272D+02 -0.122846D+02
      3  -0.127083D+02  0.126962D+02 -0.303944D+01  0.118426D+02 -0.683555D+01
      4   0.712714D+01  0.815218D+01  0.122192D+02  0.985482D+01 -0.597038D+00
      5  -0.214768D+02  0.113957D+02 -0.246274D+02  0.113769D+02  0.337316D+01
      6   0.667448D+01  0.687194D+01  0.112489D+02  0.714935D+01  0.664672D+01
                 6             7             8             9            10 
      1   0.940399D+01 -0.506808D+01  0.118376D+02 -0.172239D+02 -0.189389D+00
      2   0.311548D+00  0.922663D+01 -0.211286D+01  0.966477D+01 -0.294865D+01
      3  -0.971554D+01 -0.415855D+01 -0.972478D+01  0.755918D+01  0.313804D+01
      4  -0.664155D+01  0.147158D+02 -0.660785D+01  0.326907D+01 -0.171267D+02
      5   0.889440D+00 -0.246270D+02  0.551798D+01 -0.952906D+01  0.100340D+02
      6  -0.246664D+01  0.111966D+02 -0.223327D+01 -0.570518D+01 -0.798195D+01
                11            12            13            14            15 
      1  -0.690953D+01  0.200863D+01  0.226448D+01 -0.230501D+02 -0.923481D+01
      2   0.103727D+02 -0.178876D+01  0.556638D+00  0.106827D+02  0.226230D+01
      3  -0.346315D+01 -0.219871D+00 -0.282112D+01  0.123674D+02  0.697251D+01
      4  -0.117887D+02 -0.119367D+02 -0.146617D+02 -0.204678D+02  0.551394D+01
      5  -0.105107D+02  0.143866D+02 -0.121657D+02  0.101323D+01  0.642435D+01
      6   0.708221D+01 -0.196910D+01  0.204139D+01 -0.987420D+01 -0.119552D+01
                16            17            18            19            20 
      1   0.365461D+01 -0.147208D+02  0.146544D+02  0.342254D+02  0.105138D+02
      2   0.383982D+01  0.580768D+01 -0.111596D+02 -0.136793D+02 -0.104859D+02
      3  -0.749442D+01  0.891312D+01 -0.349478D+01 -0.205461D+02 -0.278265D-01
      4  -0.197755D+02  0.116785D+02  0.141792D+01  0.223180D+02 -0.448061D+01
      5   0.222591D+02  0.194214D+01 -0.855745D+01  0.118285D+02  0.270529D+01
      6  -0.290437D+01 -0.386432D+00  0.755052D+01  0.836268D+01  0.120919D+01
                21            22            23            24            25 
      1  -0.436146D+01  0.383017D+01  0.252607D+01  0.289624D+01 -0.206442D+02
      2  -0.239851D+01 -0.402835D+01 -0.576061D+01 -0.121151D+01 -0.635506D+01
      3   0.675997D+01  0.198178D+00  0.323454D+01 -0.168473D+01  0.269993D+02
      4   0.447407D+01 -0.546438D+01 -0.198298D+01 -0.428593D+01  0.118433D+02
      5  -0.589064D+01  0.533716D+01 -0.709891D+00  0.368883D+01 -0.173584D+02
      6   0.166545D+00  0.167962D+01  0.381955D+01  0.286473D+01 -0.253933D+01
                26            27            28            29            30 
      1   0.721650D+01  0.104415D+02 -0.110387D+03 -0.244187D+01  0.798707D+01
      2  -0.537862D+01  0.128009D+02  0.429626D+02 -0.988122D+00 -0.254917D+01
      3  -0.183788D+01 -0.232424D+02  0.674239D+02  0.342999D+01 -0.543790D+01
      4  -0.887957D+01  0.276103D+01 -0.144987D+02 -0.851585D+01  0.201249D+01
      5   0.312342D+01  0.154751D+02 -0.105709D+02  0.192427D+01 -0.940497D+01
      6   0.340976D+01 -0.902735D+00 -0.755846D+01 -0.325176D+01  0.170725D+01
                31            32            33            34            35 
      1   0.372010D+02  0.365945D+01  0.284349D+01  0.370268D+02  0.690229D+01
      2  -0.168150D+02 -0.251931D+01 -0.220569D+01 -0.876164D+01 -0.477524D+01
      3  -0.203860D+02 -0.114014D+01 -0.637800D+00 -0.282652D+02 -0.212704D+01
      4   0.939847D+00 -0.328061D+01 -0.164532D+01  0.270934D+01  0.496341D+01
      5  -0.215396D+01 -0.275091D+01  0.132008D+01 -0.163490D+01 -0.152405D+01
      6  -0.115558D+01 -0.894440D+01 -0.199489D+01 -0.310180D+00  0.358181D+01
                36            37            38            39            40 
      1  -0.261328D+02  0.135066D+03  0.837085D+01 -0.130755D+02 -0.344889D+02
      2  -0.118983D+01 -0.483390D+02 -0.147976D+01  0.349972D+01  0.162377D+02
      3   0.273226D+02 -0.867269D+02 -0.689109D+01  0.957575D+01  0.182511D+02
      4  -0.204248D+01  0.228662D+02  0.205322D+02 -0.357794D+01  0.211866D+02
      5   0.901395D+01  0.531641D+01 -0.118337D+01  0.168746D+02 -0.198794D+00
      6  -0.302404D+01  0.794652D+01  0.271899D+01 -0.363950D+01  0.203092D+01
                41            42            43            44            45 
      1   0.901198D+01  0.775828D+01 -0.348114D+02  0.742629D+00  0.363194D+01
      2  -0.820471D+01 -0.291695D+01  0.156186D+02 -0.246135D+01 -0.615775D+01
      3  -0.807264D+00 -0.484134D+01  0.191928D+02  0.171872D+01  0.252582D+01
      4   0.711223D+01  0.284919D+01 -0.971637D+01  0.126555D+01 -0.262513D+01
      5   0.525807D+01 -0.585420D+01  0.227056D+02 -0.373408D+01 -0.481686D+01
      6  -0.255199D+01  0.421164D+01 -0.101351D+02  0.508173D+01 -0.635119D+00
                46            47            48            49            50 
      1  -0.579667D+02  0.568867D+01  0.398208D+01 -0.424717D+02 -0.185786D+02
      2   0.158262D+02 -0.560004D+01 -0.563177D+01  0.458916D+01 -0.388401D+01
      3   0.421405D+02 -0.886312D-01  0.164968D+01  0.378826D+02  0.224626D+02
      4  -0.988908D+01 -0.214677D+02 -0.283356D+01 -0.673659D+02 -0.458103D+02
      5   0.432292D+01 -0.640926D+01 -0.157421D+02 -0.209659D+02 -0.707084D+01
      6  -0.101975D+02  0.222733D+01  0.270424D+01 -0.742675D+01 -0.561167D+01
                51            52            53            54            55 
      1  -0.288610D+01  0.372430D+01 -0.722006D+01 -0.215238D+01  0.339436D+02
      2   0.473557D+01 -0.512350D+01 -0.811952D+00 -0.389653D+01 -0.135432D+02
      3  -0.184947D+01  0.139919D+01  0.803202D+01  0.604892D+01 -0.204004D+02
      4  -0.159897D+01 -0.188782D+02 -0.377551D+01 -0.408971D+01  0.250138D+02
      5  -0.440082D+01  0.261511D+01 -0.492760D+01  0.149103D+01  0.708610D+01
      6  -0.670117D+01  0.931454D+00  0.385585D+01 -0.450492D+01  0.247851D+01
                56            57            58            59            60 
      1   0.120786D+02  0.206800D+01  0.679213D+02  0.345653D+01 -0.430267D+01
      2  -0.270331D+01 -0.610238D-01 -0.162113D+02  0.297495D+02  0.825060D+00
      3  -0.937527D+01 -0.200698D+01 -0.517101D+02 -0.332060D+02  0.347761D+01
      4   0.254892D+02  0.454680D+01  0.734596D+02  0.801595D+02  0.552602D+01
      5   0.572587D+01  0.125326D+02  0.103209D+02  0.116152D+02  0.158394D+02
      6   0.161048D+01  0.207587D+01  0.852320D+01  0.655899D+01  0.147004D+02
                61            62            63            64            65 
      1   0.172639D+02  0.338692D+01 -0.379502D+00 -0.275728D+02  0.239506D+02
      2  -0.627426D+01 -0.954344D+00 -0.616307D-01  0.111240D+02 -0.221747D+02
      3  -0.109896D+02 -0.243257D+01  0.441133D+00  0.164488D+02 -0.177593D+01
      4   0.152018D+02  0.839887D+01  0.200673D+02  0.203290D+02  0.893632D+01
      5   0.210184D+02  0.199117D+02  0.996377D+01 -0.155314D+02  0.157943D+02
      6   0.922467D+01  0.136483D+02  0.633465D+01  0.105239D+02 -0.131373D+02
                66            67            68            69            70 
      1  -0.117471D+02  0.167930D+02  0.287406D+02  0.185082D+02 -0.189224D+02
      2  -0.385083D+01 -0.137871D+02 -0.254189D+02 -0.124187D+02 -0.260726D+01
      3   0.155979D+02 -0.300586D+01 -0.332164D+01 -0.608954D+01  0.215297D+02
      4   0.199468D+02  0.955163D+01  0.594789D+01 -0.693702D+01  0.251180D+02
      5  -0.182289D+02  0.172534D+02 -0.519063D+01 -0.108835D+02 -0.247695D+02
      6   0.574452D+01 -0.104362D+02 -0.172475D+01  0.300662D+01  0.765020D+01
                71            72            73            74            75 
      1   0.210078D+02 -0.236117D+02 -0.905090D+00 -0.141672D+02  0.204066D+02
      2  -0.124634D+02  0.232940D+02 -0.746312D+00  0.103482D+02 -0.118109D+02
      3  -0.854444D+01  0.317721D+00  0.165140D+01  0.381898D+01 -0.859572D+01
      4  -0.102650D+02  0.768953D+00 -0.129899D+02  0.140950D+01  0.311797D+01
      5  -0.525093D+01  0.273857D+02  0.107475D+02 -0.243442D+01 -0.198305D+02
      6   0.318864D+01 -0.531885D+01  0.419476D+01 -0.629744D+01 -0.685261D+01
                76            77            78            79            80 
      1  -0.178831D+02  0.111474D+02 -0.507019D+01  0.220469D+02  0.191330D+00
      2   0.170568D+02  0.257605D+01  0.412742D+01 -0.123569D+02  0.381487D+00
      3   0.826327D+00 -0.137234D+02  0.942774D+00 -0.969008D+01 -0.572818D+00
      4   0.888610D+01  0.339819D+02 -0.379878D+01 -0.168000D+01 -0.862207D+01
      5  -0.934333D+01  0.175515D+01 -0.122313D+02 -0.329976D+02 -0.162455D+02
      6  -0.300506D+01  0.751513D+00 -0.473483D+01 -0.135307D+02 -0.682605D+01
                81            82            83            84            85 
      1  -0.200168D+02 -0.163449D+02 -0.281984D+01 -0.136225D+02 -0.328428D+00
      2   0.134255D+02  0.141431D+02  0.769845D+01  0.130247D+02  0.355326D+01
      3   0.659133D+01  0.220178D+01 -0.487861D+01  0.597749D+00 -0.322483D+01
      4  -0.209786D+02 -0.117938D+01  0.944887D+01 -0.422402D+01  0.896771D+01
      5  -0.110203D+02 -0.671120D+01  0.200389D+01  0.127696D+01  0.520622D+01
      6  -0.898753D+01 -0.100112D+02  0.568219D+01  0.332725D+01  0.304919D+01
                86            87            88            89            90 
      1   0.109962D+02 -0.630086D+01 -0.158452D+02 -0.123558D+02  0.136887D+02
      2  -0.612075D+01  0.100812D+02  0.146768D+02  0.186777D+02 -0.155431D+02
      3  -0.487550D+01 -0.378029D+01  0.116838D+01 -0.632184D+01  0.185439D+01
      4  -0.201033D+01  0.118006D+02 -0.358765D+01  0.168646D+02 -0.113641D+01
      5   0.614940D+01 -0.230809D+01  0.324477D+01 -0.387697D+01  0.512178D+00
      6   0.175032D+02 -0.129353D+02  0.438518D+01 -0.180941D+02  0.255104D+01
                91            92            93            94            95 
      1  -0.263498D+02 -0.355484D+02 -0.333086D-01 -0.527258D+02 -0.141835D+02
      2   0.154547D+02  0.192478D+02  0.195677D+01  0.282173D+02  0.473834D+01
      3   0.108951D+02  0.163006D+02 -0.192346D+01  0.245085D+02  0.944512D+01
      4  -0.414623D+02  0.182303D+01  0.134761D+02 -0.171271D+02  0.265045D+02
      5  -0.567489D+01  0.147538D+02  0.137061D+02  0.164181D+02 -0.930013D+01
      6   0.628335D+01 -0.356314D+01 -0.570424D+01 -0.399576D+01  0.567047D+01
                96            97            98            99           100 
      1   0.141601D+02 -0.965766D+01  0.150550D+02  0.139137D+02  0.492154D+02
      2  -0.374751D+00  0.959381D-01  0.264229D+01 -0.460309D+01 -0.243765D+02
      3  -0.137854D+02  0.956172D+01 -0.176973D+02 -0.931062D+01 -0.248389D+02
      4  -0.967370D+01  0.167975D+02 -0.159746D+02  0.261803D+02  0.251594D+02
      5   0.215362D+02 -0.420843D+00  0.282157D+02  0.204996D+02 -0.212046D+02
      6  -0.533013D+01  0.237669D+01 -0.965954D+01 -0.829432D+01 -0.558460D+01
               101           102           103           104           105 
      1   0.101975D+02 -0.176447D+02  0.442477D+01  0.461125D+01  0.478468D-02
      2  -0.263366D+01  0.941834D+01 -0.388952D-01 -0.668393D+00 -0.149639D+01
      3  -0.756384D+01  0.822639D+01 -0.438588D+01 -0.394285D+01  0.149161D+01
      4   0.150802D+02 -0.818415D+01  0.117611D+02  0.553957D+01 -0.533388D+01
      5  -0.401113D+01  0.178822D+02 -0.202196D+01 -0.526232D+01  0.369139D+01
      6  -0.204726D+01  0.557162D+01 -0.239778D+01 -0.257419D+01  0.408444D+01
               106           107           108           109           110 
      1  -0.295481D+02 -0.351361D+01  0.150217D+02  0.192162D+02  0.776691D+01
      2   0.161192D+02 -0.848592D+00 -0.110949D+02 -0.107010D+02 -0.342274D+01
      3   0.134289D+02  0.436221D+01 -0.392683D+01 -0.851523D+01 -0.434417D+01
      4  -0.151459D+02 -0.118055D+02  0.123336D+02  0.166869D+02  0.108291D+02
      5   0.236563D+02  0.791219D+01 -0.192134D+02  0.150285D+02  0.675882D+01
      6   0.748923D+01  0.515046D+01 -0.641557D+01  0.696002D+01  0.436760D+01
               111           112           113           114           115 
      1   0.672400D+01  0.636018D+01 -0.137983D+01  0.297140D+00  0.148456D+02
      2  -0.474222D+01 -0.184336D+01  0.429465D+01  0.141893D+01 -0.109712D+02
      3  -0.198178D+01 -0.451682D+01 -0.291482D+01 -0.171607D+01 -0.387434D+01
      4   0.837753D+01  0.133165D+02  0.107655D+02  0.108618D+02  0.190668D+02
      5   0.169515D+02  0.745857D+01  0.945995D+01  0.948371D+01  0.296792D+02
      6   0.626878D+01  0.620152D+01  0.756154D+01  0.904460D+01  0.134962D+02
               116           117           118           119           120 
      1   0.120659D+01  0.629184D+01 -0.685708D+00 -0.202149D+00  0.141881D+01
      2   0.133992D+01 -0.124350D+02 -0.588960D+01  0.106087D+01  0.451977D+01
      3  -0.254651D+01  0.614313D+01  0.657531D+01 -0.858719D+00 -0.593858D+01
      4   0.192964D+02  0.193226D+02 -0.183641D+01  0.401450D+01 -0.427281D+00
      5   0.153503D+02  0.356852D+02 -0.942837D+01  0.647255D+00  0.121719D+02
      6   0.127412D+02  0.185044D+02 -0.389164D+00 -0.146207D+01  0.141828D+00
               121           122           123           124           125 
      1   0.562619D+01 -0.411721D+01 -0.234228D+01  0.842612D+01  0.395573D+00
      2  -0.139728D+01 -0.282640D+00 -0.107644D+01  0.619570D+01 -0.310051D+01
      3  -0.422891D+01  0.439985D+01  0.341873D+01 -0.146218D+02  0.270494D+01
      4   0.533982D+01  0.730580D+00 -0.302652D+01 -0.361591D+00 -0.394681D+01
      5   0.195168D+01 -0.306835D+01 -0.167301D+01  0.177890D+02 -0.174979D+01
      6  -0.160017D+01  0.145008D+01  0.668743D+01  0.190471D+01  0.491800D+01
               126           127           128           129           130 
      1  -0.228480D+02 -0.334904D+01  0.792657D+01  0.536518D+01  0.482868D+01
      2  -0.183143D+02  0.320029D+01 -0.102248D+02 -0.479996D+01 -0.563632D+01
      3   0.411623D+02  0.148754D+00  0.229825D+01 -0.565227D+00  0.807644D+00
      4  -0.102517D+01 -0.611745D+01  0.100905D+01  0.293221D+01  0.249412D+01
      5  -0.234824D+02  0.749469D-01 -0.328091D+00 -0.561674D+00 -0.184718D+00
      6  -0.875267D+00  0.598721D+01 -0.393445D+01 -0.604590D+01 -0.264280D+01
               131           132           133           134           135 
      1  -0.118272D+02 -0.433777D+01  0.887901D+01 -0.904832D+01 -0.127690D+02
      2   0.139591D+02  0.426653D+01 -0.609187D+01  0.103989D+02  0.830194D+01
      3  -0.213189D+01  0.712449D-01 -0.278715D+01 -0.135060D+01  0.446707D+01
      4  -0.794353D+00 -0.119281D+01  0.603775D+01 -0.682220D-01 -0.192125D+01
      5   0.415658D+00  0.115108D+01  0.265726D+00  0.182327D+01  0.335415D+01
      6   0.421619D+01  0.820724D+01 -0.505018D+01  0.108518D+02  0.124943D+02
               136           137           138           139           140 
      1  -0.136071D+01  0.380983D+01 -0.702930D+00  0.292330D+01 -0.311557D+02
      2   0.276488D+01 -0.247513D+01 -0.179234D+00 -0.543052D+00  0.416147D+02
      3  -0.140417D+01 -0.133470D+01  0.882163D+00 -0.238025D+01 -0.104590D+02
      4   0.427251D+01  0.721180D+01 -0.286780D+01  0.786882D+01  0.183856D+02
      5  -0.774317D+00 -0.272419D+01  0.335732D+01 -0.207815D+01 -0.805089D+01
      6  -0.313864D+01 -0.362482D+00 -0.672327D+00 -0.777448D+00 -0.257194D+02
               141           142           143           144           145 
      1   0.148502D+02 -0.690342D+00  0.215700D+02 -0.178808D+02 -0.731012D+01
      2  -0.162155D+02 -0.149806D+01 -0.232631D+02  0.126068D+02  0.615963D+01
      3   0.136532D+01  0.218840D+01  0.169304D+01  0.527397D+01  0.115049D+01
      4  -0.832998D+01 -0.469291D+01 -0.128794D+02  0.772218D+01  0.175350D+01
      5   0.549174D+01  0.299597D+01  0.850116D+01 -0.752317D+01 -0.308852D+01
      6   0.185107D+02  0.423440D-01  0.242827D+02 -0.207859D+02 -0.503923D+01
               146           147           148           149           150 
      1  -0.103431D+02  0.614417D+01 -0.810538D+01 -0.220041D+02  0.682382D+01
      2   0.116600D+02 -0.179569D+01  0.954364D+01  0.257846D+02 -0.178566D+01
      3  -0.131689D+01 -0.434847D+01 -0.143826D+01 -0.378045D+01 -0.503816D+01
      4  -0.822666D+00 -0.951979D+00  0.203476D+01 -0.823596D+01  0.244770D+01
      5  -0.417545D+01  0.225925D+01 -0.618031D+01 -0.249950D+01 -0.274975D+01
      6  -0.928955D+01  0.355696D+01 -0.609019D+01 -0.180099D+02  0.933717D+01
               151           152           153           154           155 
      1   0.141759D+01  0.526563D+00 -0.224427D+01 -0.680130D+01  0.277552D+01
      2   0.915034D-01  0.195975D+01  0.829131D+00 -0.182367D+01  0.292457D+01
      3  -0.150909D+01 -0.248632D+01  0.141514D+01  0.862498D+01 -0.570009D+01
      4  -0.106273D+01 -0.492053D+00 -0.610472D+00  0.278011D+01 -0.336138D+01
      5   0.283629D+01 -0.532531D+00  0.126758D+00 -0.255861D+01  0.829868D+00
      6   0.138679D+01  0.496957D+01 -0.168874D+01  0.251945D+01 -0.582766D+01
               156           157           158           159           160 
      1   0.968589D+01  0.475787D+01 -0.889528D+01 -0.998300D+01  0.552567D+01
      2   0.240124D+01  0.109457D+01  0.214224D+01 -0.428034D+01  0.140565D+01
      3  -0.120871D+02 -0.585244D+01  0.675304D+01  0.142633D+02 -0.693132D+01
      4  -0.303150D+01 -0.327471D+01  0.645237D+01  0.375078D+01 -0.321572D+01
      5   0.306531D+01  0.228468D+01 -0.730782D+00  0.372748D+01  0.555062D+01
      6  -0.264695D+01 -0.420776D+01  0.820658D+01  0.538991D+01 -0.318601D+01
               161           162           163           164           165 
      1  -0.586655D+01 -0.100625D+02  0.169920D+02 -0.142233D+01  0.343650D+01
      2  -0.220930D+01 -0.654856D+01 -0.180939D+02  0.275113D+01 -0.156624D+02
      3   0.807585D+01  0.166111D+02  0.110188D+01 -0.132880D+01  0.122259D+02
      4   0.299937D+01  0.330334D+01 -0.127248D+02  0.985358D+01 -0.963189D+01
      5  -0.467871D+00  0.201715D+01  0.328156D+02 -0.972001D+01  0.314394D+02
      6   0.604348D+01  0.411527D+01 -0.775268D+01  0.734723D+01 -0.945514D+01
               166           167           168           169           170 
      1  -0.797553D+00 -0.172717D+01  0.122303D+01  0.447861D+01  0.104178D+01
      2   0.152094D+01  0.485475D+00  0.386718D+00 -0.128507D+02  0.158680D+01
      3  -0.723391D+00  0.124169D+01 -0.160975D+01  0.837212D+01 -0.262858D+01
      4   0.678144D+01 -0.551937D+01  0.666537D+01 -0.796412D+01  0.641496D+01
      5  -0.542162D+01  0.673689D+01 -0.533244D+01  0.249295D+02 -0.794390D+01
      6   0.458366D+01 -0.559000D+01  0.754198D+01 -0.718010D+01  0.752941D+01
               171           172           173           174           175 
      1  -0.287168D+01  0.171322D+02 -0.164492D+01 -0.959907D+01  0.611983D+01
      2  -0.169536D+02 -0.123767D+02  0.589651D+00  0.105105D+02 -0.429654D+01
      3   0.198253D+02 -0.475550D+01  0.105527D+01 -0.911440D+00 -0.182328D+01
      4  -0.814726D+01 -0.516176D+01  0.344213D+01  0.692401D+00  0.908786D+00
      5   0.295599D+02 -0.143803D+02 -0.149883D+01  0.193545D+02 -0.697332D+01
      6  -0.103066D+02  0.254300D+01 -0.208560D+00 -0.523842D+01  0.267105D+00
               176           177           178           179           180 
      1  -0.179258D+01 -0.480901D+01 -0.151967D+02 -0.269074D+01  0.954993D+01
      2   0.925534D-01  0.731881D+01  0.150139D+02  0.519452D+01 -0.239488D+02
      3   0.170003D+01 -0.250980D+01  0.182813D+00 -0.250377D+01  0.143989D+02
      4   0.405226D+01 -0.462749D+01  0.446099D+01 -0.945550D+01 -0.348184D+01
      5  -0.490119D+01  0.979915D+01  0.269594D+02 -0.129960D-01 -0.456941D+02
      6  -0.493405D+00  0.168820D+01 -0.726154D+01  0.513170D+01  0.142691D+02
               181           182           183           184           185 
      1  -0.685494D+01 -0.182193D+02 -0.200414D+01 -0.141552D+02 -0.322850D+02
      2   0.695661D+01  0.200620D+02  0.216327D+01  0.956300D+01  0.446134D+02
      3  -0.101674D+00 -0.184264D+01 -0.159126D+00  0.459220D+01 -0.123284D+02
      4   0.377047D+00 -0.778174D+01 -0.337931D+01  0.585009D+01 -0.308243D+02
      5   0.275221D+01 -0.197967D+01 -0.115415D+01  0.101042D+01 -0.345639D+01
      6   0.753206D+00  0.574886D+01  0.430999D+01  0.199454D+01  0.122258D+02
               186           187           188           189           190 
      1  -0.664308D+01  0.214305D+00 -0.668455D+01 -0.317763D+01  0.638900D+02
      2   0.591725D+01  0.119796D+01  0.502002D+01  0.229255D+01 -0.267084D+02
      3   0.725830D+00 -0.141227D+01  0.166453D+01  0.885082D+00 -0.371816D+02
      4  -0.441892D+01 -0.202684D+01 -0.231733D+01 -0.370773D+01 -0.374791D+02
      5  -0.526359D+01  0.338864D+01 -0.378749D+01 -0.467810D+01  0.149298D+02
      6   0.895946D+01  0.489984D+00  0.798047D+01  0.423614D+01 -0.678840D+01
               191           192           193           194           195 
      1  -0.179448D+02  0.150967D+02 -0.107809D+02  0.478533D+01 -0.385862D+01
      2   0.358165D+01 -0.528231D+01  0.534263D+00  0.409190D+01  0.315240D+00
      3   0.143631D+02 -0.981438D+01  0.102466D+02 -0.887723D+01  0.354338D+01
      4   0.218214D+02 -0.965061D+01  0.176648D+02 -0.147954D+02  0.610263D+01
      5  -0.551492D+01  0.161723D+02 -0.430151D+01  0.445265D+01 -0.218480D+01
      6   0.347996D+01 -0.700769D+01  0.330058D+01 -0.154255D+01  0.322798D+01
               196           197           198           199           200 
      1   0.300144D+02 -0.887096D+01  0.130215D+02  0.523756D+00  0.310568D+00
      2  -0.114436D+02  0.587927D+00 -0.820318D+01 -0.100250D+01  0.890446D-01
      3  -0.185708D+02  0.828304D+01 -0.481831D+01  0.478747D+00 -0.399612D+00
      4  -0.213402D+02  0.159715D+02 -0.891830D+01  0.906648D+00  0.236843D+01
      5   0.185385D+02 -0.603529D+01  0.132209D+02  0.232168D+00  0.143597D+01
      6  -0.790180D+01  0.421226D+01 -0.653636D+01  0.227489D+01  0.463920D+00
               201           202           203           204           205 
      1   0.534630D+00  0.549779D+01 -0.171057D+02 -0.776974D+01  0.182152D+01
      2  -0.470117D+00 -0.329433D+01  0.159492D+02  0.313137D+01 -0.329632D+01
      3  -0.645129D-01 -0.220346D+01  0.115650D+01  0.463837D+01  0.147481D+01
      4   0.996491D+00  0.239307D+01  0.498587D+01  0.179695D+01  0.178593D+01
      5   0.159364D+01  0.123813D+01  0.256242D+01  0.240630D+01  0.186179D+01
      6   0.809431D+00 -0.583790D+00  0.112536D+02  0.746960D+01  0.196107D+01
               206           207           208           209           210 
      1  -0.521356D+01 -0.278538D+01  0.174332D+01 -0.395509D+01 -0.157698D+01
      2   0.233088D+01  0.126131D+01  0.878424D+00  0.234880D+01  0.706099D+00
      3   0.288268D+01  0.152408D+01 -0.262175D+01  0.160628D+01  0.870881D+00
      4   0.625981D+00  0.132225D+01 -0.317201D+01  0.354340D+01  0.128541D+01
      5   0.205016D+01  0.115525D+01 -0.210060D+01  0.954803D+00  0.561881D+00
      6   0.529819D+01  0.420849D+01  0.701411D+00 -0.949054D+00 -0.552538D-01
               211           212           213           214           215 
      1  -0.444546D+01 -0.145394D+02 -0.196916D+01 -0.320150D+01 -0.235097D+01
      2   0.106311D+01  0.208290D+02  0.238520D+01 -0.199510D+00  0.364672D+01
      3   0.338235D+01 -0.628967D+01 -0.416047D+00  0.340101D+01 -0.129574D+01
      4   0.646647D+01 -0.172869D+02 -0.314956D+01  0.372719D+01 -0.450696D+01
      5   0.172713D+01 -0.232017D+01 -0.271142D+01 -0.188846D+01 -0.165782D+01
      6  -0.116707D+01  0.105321D+01  0.430208D+01  0.191164D+01  0.254686D+01
               216           217           218           219           220 
      1  -0.295223D+01  0.156709D+02 -0.602370D+01  0.590374D+01 -0.205151D+02
      2   0.224878D+01 -0.539990D+01  0.109439D+01 -0.229607D+01  0.512802D+01
      3   0.703447D+00 -0.102710D+02  0.492931D+01 -0.360768D+01  0.153871D+02
      4  -0.228895D+01 -0.739629D+01  0.998758D+01 -0.632617D+01  0.298468D+02
      5  -0.116121D+01  0.663217D+01 -0.564516D+01  0.407317D+01 -0.527896D+01
      6   0.163573D+01 -0.288312D+01  0.867753D+00 -0.512314D+00  0.293231D+01
               221           222           223           224           225 
      1   0.850342D+01 -0.536929D+00  0.195316D+02 -0.618781D+01  0.127990D+01
      2   0.104879D+02 -0.461057D+01 -0.730992D+01 -0.352931D+01 -0.224783D+00
      3  -0.189913D+02  0.514750D+01 -0.122217D+02  0.971712D+01 -0.105512D+01
      4  -0.509845D+02  0.144204D+02 -0.172063D+02  0.261346D+02 -0.185951D+02
      5   0.156843D+02 -0.195531D+02  0.124197D+02 -0.199496D+02  0.166218D+02
      6  -0.687452D+01  0.742586D+01 -0.449775D+01  0.914725D+01 -0.656153D+01
               226           227           228           229           230 
      1   0.583071D+00 -0.594835D+00 -0.846470D+01 -0.731288D+01 -0.734438D+00
      2  -0.123692D+01 -0.264526D-01  0.205130D+01  0.341262D+01  0.166134D+01
      3   0.653850D+00  0.621287D+00  0.641339D+01  0.390026D+01 -0.926902D+00
      4   0.320235D+01 -0.190392D+01 -0.232121D+01  0.120382D+02 -0.195609D+02
      5  -0.194499D+01 -0.300772D+01 -0.323778D+01  0.305666D+01 -0.115809D+02
      6   0.168258D+01  0.233356D+01  0.226562D+01 -0.149526D+01  0.727796D+01
               231           232           233           234           235 
      1  -0.556257D+01 -0.190886D+02 -0.576634D+01 -0.119963D+02  0.971842D+02
      2   0.134673D+01  0.127671D+02  0.811689D-02 -0.912059D+01 -0.520387D+02
      3   0.421583D+01  0.632154D+01  0.575822D+01  0.211168D+02 -0.451455D+02
      4  -0.117493D+02  0.708953D+01 -0.156641D+02 -0.198844D+02  0.148758D+02
      5  -0.175258D+02  0.159532D+02 -0.214745D+02 -0.507500D+02 -0.120466D+02
      6   0.101563D+02 -0.375150D+01  0.120756D+02  0.165651D+02 -0.256104D+01
               236           237           238           239           240 
      1   0.192479D+02 -0.676947D+01  0.456209D+02  0.161671D+02 -0.471223D+01
      2  -0.115622D+02  0.507346D+01 -0.247395D+02 -0.730834D+01  0.286204D+01
      3  -0.768571D+01  0.169601D+01 -0.208814D+02 -0.885880D+01  0.185019D+01
      4   0.161454D+02 -0.240888D+01  0.191578D+02  0.141674D+02 -0.101674D+01
      5  -0.346233D+01  0.144765D+02 -0.737162D+01 -0.158311D+01  0.722263D+01
      6  -0.168046D+01 -0.993429D-01 -0.246286D+01 -0.235997D+01  0.199960D+01
               241           242           243 
      1  -0.240261D+01 -0.214023D+01  0.863806D+01
      2   0.268512D+01  0.776115D+00 -0.624205D+01
      3  -0.282516D+00  0.136411D+01 -0.239601D+01
      4  -0.189991D+01  0.646679D+00  0.984283D+00
      5   0.139050D+02  0.145746D+01 -0.534749D+01
      6   0.436361D+00  0.252955D+01  0.402552D+00
 Leave Link  716 at Mon Aug 16 22:33:02 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168875D+03 -0.336543D+01 -0.569112D+01
      2  -0.336543D+01  0.120975D+03  0.232457D+01
      3  -0.569112D+01  0.232457D+01  0.103457D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.760481D+00  0.538008D+01 -0.741854D+01
      2   0.354101D+02 -0.109790D+02  0.310061D+02
      3   0.223559D+02 -0.125906D+02  0.124694D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.674672D+02 -0.120730D+02  0.209561D+02
      2   0.165292D+02  0.178363D+02 -0.332518D+02
      3   0.509380D+02 -0.576334D+01  0.122956D+02
      4   0.648116D+01  0.239909D+02 -0.235274D+02
      5   0.306391D+02 -0.251267D+02  0.793285D+02
      6  -0.314020D+01 -0.275763D+01  0.127833D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.321375D+01  0.117694D+01 -0.392411D+01  0.474615D+00  0.353771D+01
      2   0.117694D+01  0.363548D+01  0.212369D+01  0.353771D+01  0.220313D+01
      3  -0.392411D+01  0.212369D+01 -0.322487D+01  0.214886D+01 -0.160435D+01
                 6             7             8             9            10 
      1   0.214886D+01 -0.364421D+01  0.263375D+01 -0.313793D+01  0.215169D+02
      2  -0.160435D+01  0.263375D+01 -0.106740D+01 -0.834243D+00 -0.243077D+01
      3  -0.152529D+01 -0.313793D+01 -0.834243D+00  0.379457D+00  0.325364D+01
                11            12            13            14            15 
      1  -0.243077D+01  0.325364D+01 -0.103442D+02 -0.196721D+01 -0.254686D+01
      2  -0.237210D+01 -0.198078D+01 -0.196721D+01 -0.446011D+01  0.101465D+01
      3  -0.198078D+01  0.331839D+01 -0.254686D+01  0.101465D+01  0.987241D+00
                16            17            18            19            20 
      1   0.129045D+02 -0.295374D+01  0.538480D+01 -0.366606D+02  0.206210D+01
      2  -0.295374D+01  0.190393D+01  0.517882D+00  0.206210D+01 -0.223993D+01
      3   0.538480D+01  0.517882D+00 -0.234778D+01  0.197700D+00  0.957648D+00
                21            22            23            24            25 
      1   0.197700D+00  0.842440D+01 -0.201921D+01  0.210530D+01 -0.382625D+01
      2   0.957648D+00 -0.201921D+01 -0.182640D+01 -0.150746D+01  0.217986D+01
      3  -0.292637D+01  0.210530D+01 -0.150746D+01  0.191595D+01 -0.647487D+01
                26            27            28            29            30 
      1   0.217986D+01 -0.647487D+01  0.547085D+02 -0.376653D+00 -0.332228D+01
      2  -0.211617D+01  0.137654D+01 -0.376653D+00  0.175249D+01 -0.710916D+00
      3   0.137654D+01  0.498212D+01 -0.332228D+01 -0.710916D+00  0.235959D+01
                31            32            33            34            35 
      1  -0.122803D+02  0.180726D+01  0.163790D-01 -0.134134D+02 -0.149201D+01
      2   0.180726D+01  0.259849D+01  0.139110D+01 -0.149201D+01  0.907944D+00
      3   0.163790D-01  0.139110D+01 -0.108654D+01  0.622970D+01 -0.206303D+00
                36            37            38            39            40 
      1   0.622970D+01 -0.499289D+02 -0.261008D+01  0.330339D+01  0.123410D+02
      2  -0.206303D+00 -0.261008D+01 -0.106022D+01  0.881508D+00 -0.351231D+01
      3  -0.405845D+01  0.330339D+01  0.881508D+00 -0.158956D+01 -0.617463D+00
                41            42            43            44            45 
      1  -0.351231D+01 -0.617463D+00  0.144473D+02  0.130023D+01 -0.480556D+01
      2  -0.213369D+01 -0.129553D+01  0.130023D+01 -0.135549D+01  0.741601D+00
      3  -0.129553D+01  0.190030D+01 -0.480556D+01  0.741601D+00  0.214032D+01
                46            47            48            49            50 
      1   0.184144D+02  0.320855D+01 -0.149856D+01  0.224093D+02  0.823440D+01
      2   0.320855D+01 -0.103016D+00  0.274953D+00  0.823440D+01  0.592166D+01
      3  -0.149856D+01  0.274953D+00 -0.707309D+00  0.743947D-01  0.384569D+00
                51            52            53            54            55 
      1   0.743947D-01  0.202363D+01  0.194983D+01 -0.821286D+00 -0.655227D+01
      2   0.384569D+00  0.194983D+01  0.109839D+01  0.660134D+00 -0.313552D+01
      3  -0.395727D+00 -0.821286D+00  0.660134D+00  0.648309D+00 -0.400303D+00
                56            57            58            59            60 
      1  -0.313552D+01 -0.400303D+00 -0.239046D+02 -0.962405D+01  0.498386D+00
      2  -0.165523D+01 -0.587951D+00 -0.962405D+01 -0.110782D+02 -0.693438D+00
      3  -0.587951D+00 -0.419438D+00  0.498386D+00 -0.693438D+00 -0.143780D+01
                61            62            63            64            65 
      1  -0.566883D+01 -0.208270D+01 -0.168695D+01 -0.609709D+01  0.201543D+01
      2  -0.208270D+01 -0.105710D+01 -0.283382D+01  0.201543D+01  0.291351D+01
      3  -0.168695D+01 -0.283382D+01 -0.133966D+01 -0.230868D+01  0.256280D+01
                66            67            68            69            70 
      1  -0.230868D+01  0.179376D+01  0.223628D+01  0.276390D+01 -0.407471D+01
      2   0.256280D+01  0.223628D+01  0.362731D+01 -0.108064D+00  0.271091D+01
      3  -0.289111D+01  0.276390D+01 -0.108064D+00 -0.165325D+01 -0.388487D+01
                71            72            73            74            75 
      1   0.271091D+01 -0.388487D+01 -0.272264D+01 -0.231302D+01  0.157587D+01
      2  -0.527848D+00 -0.786148D+00 -0.231302D+01  0.177390D+01 -0.693580D+00
      3  -0.786148D+00  0.419187D+01  0.157587D+01 -0.693580D+00 -0.278233D+01
                76            77            78            79            80 
      1  -0.349502D+01  0.215815D+01 -0.159411D+01 -0.382647D+00 -0.119771D+01
      2   0.215815D+01  0.550173D+01 -0.348921D+00 -0.119771D+01 -0.899234D+00
      3  -0.159411D+01 -0.348921D+00 -0.158343D+01 -0.472182D+01 -0.223775D+01
                81            82            83            84            85 
      1  -0.472182D+01 -0.298200D+01  0.185717D+01 -0.224884D+01  0.239936D+01
      2  -0.223775D+01  0.185717D+01  0.177175D+01  0.156185D+01  0.228222D+01
      3  -0.147792D+01 -0.224884D+01  0.156185D+01  0.886077D+00  0.117586D+01
                86            87            88            89            90 
      1   0.228222D+01  0.117586D+01 -0.228840D+01  0.166853D+01  0.130884D+01
      2  -0.120973D+01  0.288313D+01  0.166853D+01  0.395071D+01 -0.245246D+01
      3   0.288313D+01 -0.204689D+01  0.130884D+01 -0.245246D+01 -0.468586D+00
                91            92            93            94            95 
      1   0.250472D+01  0.438430D+01  0.714374D+00  0.731361D+01  0.272738D+01
      2   0.438430D+01  0.685223D+00 -0.155815D+01  0.272738D+01 -0.388689D+01
      3   0.714374D+00 -0.155815D+01 -0.118665D+01 -0.159112D+01  0.772074D+00
                96            97            98            99           100 
      1  -0.159112D+01  0.158125D+01 -0.155642D+01  0.139726D-01  0.646498D+01
      2   0.772074D+00 -0.155642D+01  0.126085D+01 -0.362707D+01  0.180057D+01
      3  -0.306502D+01  0.139726D-01 -0.362707D+01 -0.314049D+01 -0.255571D+01
               101           102           103           104           105 
      1   0.180057D+01 -0.255571D+01  0.714518D+00  0.984890D+00 -0.254879D+00
      2   0.151894D+01 -0.547243D+00  0.984890D+00  0.414345D+00 -0.577062D+00
      3  -0.547243D+00  0.218133D+01 -0.254879D+00 -0.577062D+00  0.497353D+00
               106           107           108           109           110 
      1  -0.473151D+01 -0.905027D+00  0.289440D+01  0.272092D+01  0.150580D+01
      2  -0.905027D+00 -0.153165D+01  0.113481D+01  0.150580D+01  0.853190D+00
      3   0.289440D+01  0.113481D+01 -0.260638D+01  0.166576D+01  0.794947D+00
               111           112           113           114           115 
      1   0.166576D+01  0.862832D+00  0.124916D+01  0.962947D+00  0.420297D+01
      2   0.794947D+00  0.124916D+01  0.147876D+01  0.136480D+01  0.191058D+01
      3   0.189463D+01  0.962947D+00  0.136480D+01  0.139443D+01  0.383929D+01
               116           117           118           119           120 
      1   0.191058D+01  0.383929D+01  0.547560D+01 -0.743099D+00 -0.174761D+01
      2   0.256354D+01  0.220324D+01 -0.743099D+00  0.539289D+00 -0.150723D-01
      3   0.220324D+01  0.529345D+01 -0.174761D+01 -0.150723D-01  0.186965D+01
               121           122           123           124           125 
      1  -0.449800D+01  0.847639D+00  0.534942D-01 -0.374124D+01 -0.234527D+00
      2   0.847639D+00 -0.871441D-01 -0.953601D+00 -0.234527D+00 -0.131590D+01
      3   0.534942D-01 -0.953601D+00 -0.969436D+00  0.345985D+01 -0.750923D+00
               126           127           128           129           130 
      1   0.345985D+01 -0.223115D+01  0.333873D+00  0.105369D+01  0.438784D+00
      2  -0.750923D+00  0.333873D+00 -0.172204D+01 -0.798540D+00 -0.957184D+00
      3  -0.833675D+01  0.105369D+01 -0.798540D+00 -0.136470D+01 -0.522174D+00
               131           132           133           134           135 
      1  -0.957184D+00 -0.522174D+00  0.195068D+01 -0.727835D+00 -0.973521D+00
      2   0.209835D+01  0.746815D+00 -0.727835D+00  0.191617D+01  0.164094D+01
      3   0.746815D+00  0.109166D+01 -0.973521D+00  0.164094D+01  0.285716D+01
               136           137           138           139           140 
      1   0.679361D+00  0.997508D+00 -0.381948D+00  0.466616D+00  0.158702D+00
      2   0.997508D+00 -0.422360D-01 -0.113244D+00  0.158702D+00  0.711818D+01
      3  -0.381948D+00 -0.113244D+00 -0.992595D-01 -0.116443D+00 -0.325758D+01
               141           142           143           144           145 
      1  -0.116443D+00 -0.102158D+01 -0.313365D+00 -0.233610D+00 -0.191236D+01
      2  -0.325758D+01 -0.313365D+00 -0.477355D+01  0.333753D+01 -0.160342D+01
      3   0.236847D+01 -0.233610D+00  0.333753D+01 -0.316368D+01  0.562232D+00
               146           147           148           149           150 
      1  -0.160342D+01  0.562232D+00 -0.172990D+01 -0.199598D+01  0.123510D+00
      2  -0.268972D+01  0.474963D+00 -0.199598D+01 -0.568888D+01  0.140878D+01
      3   0.474963D+00 -0.763212D+00  0.123510D+00  0.140878D+01 -0.159615D+01
               151           152           153           154           155 
      1  -0.168710D+00 -0.845532D-01 -0.185122D+00 -0.214703D+01  0.910441D+00
      2  -0.845532D-01  0.743278D-01 -0.579378D+00  0.910441D+00 -0.158612D+01
      3  -0.185122D+00 -0.579378D+00  0.285240D+00  0.133578D+01 -0.682336D+00
               156           157           158           159           160 
      1   0.133578D+01  0.149799D+01 -0.135537D+01 -0.848644D+00  0.118961D+01
      2  -0.682336D+00 -0.135537D+01  0.218092D+01  0.110811D+01 -0.727674D+00
      3  -0.166822D+01 -0.848644D+00  0.110811D+01  0.254698D+01 -0.817671D+00
               161           162           163           164           165 
      1  -0.727674D+00 -0.817671D+00  0.530781D+01 -0.138738D+01  0.362950D+01
      2   0.111961D+01  0.112162D+01 -0.138738D+01  0.121216D+01 -0.135658D+01
      3   0.112162D+01  0.255285D+01  0.362950D+01 -0.135658D+01  0.432319D+01
               166           167           168           169           170 
      1  -0.514658D+00  0.663529D+00 -0.723994D+00  0.247292D+01 -0.101159D+01
      2   0.663529D+00 -0.111097D+01  0.118566D+01 -0.101159D+01  0.109211D+01
      3  -0.723994D+00  0.118566D+01 -0.715293D+00  0.307349D+01 -0.116346D+01
               171           172           173           174           175 
      1   0.307349D+01  0.248216D+01 -0.170646D+00 -0.161130D+01  0.107129D+01
      2  -0.116346D+01 -0.170646D+00  0.150840D+00 -0.220917D+00 -0.461618D-01
      3   0.457277D+01 -0.161130D+01 -0.220917D+00  0.216063D+01 -0.852358D+00
               176           177           178           179           180 
      1  -0.461618D-01 -0.852358D+00 -0.262213D+01  0.150796D+00  0.318690D+01
      2   0.456804D+00 -0.770994D+00  0.150796D+00 -0.148980D+01 -0.165468D-01
      3  -0.770994D+00  0.150090D+01  0.318690D+01 -0.165468D-01 -0.670246D+01
               181           182           183           184           185 
      1  -0.108637D+01 -0.104826D+01  0.786340D-01 -0.170080D+01 -0.576552D+00
      2  -0.104826D+01 -0.335828D+01 -0.790100D+00 -0.576552D+00 -0.777557D+01
      3   0.786340D-01 -0.790100D+00 -0.641163D+00 -0.207746D+00 -0.122731D+01
               186           187           188           189           190 
      1  -0.207746D+00  0.307978D+00 -0.410929D+00  0.188478D+00  0.799571D+01
      2  -0.122731D+01 -0.410929D+00 -0.751676D+00 -0.102978D+01 -0.305245D+01
      3  -0.122454D+01  0.188478D+00 -0.102978D+01 -0.892698D+00  0.200014D+01
               191           192           193           194           195 
      1  -0.305245D+01  0.200014D+01 -0.145391D+01  0.159080D+01 -0.725667D+00
      2   0.188179D+01 -0.816082D+00  0.159080D+01 -0.184126D+01  0.549096D+00
      3  -0.816082D+00  0.196717D+01 -0.725667D+00  0.549096D+00 -0.317222D+00
               196           197           198           199           200 
      1   0.488072D+01 -0.199454D+01  0.227621D+01  0.408991D+00 -0.869032D+00
      2  -0.199454D+01  0.183077D+01 -0.757456D+00 -0.869032D+00 -0.336097D+00
      3   0.227621D+01 -0.757456D+00  0.165021D+01 -0.523419D+00 -0.104829D+00
               201           202           203           204           205 
      1  -0.523419D+00 -0.221054D+01 -0.228320D-01  0.272666D+00 -0.192107D+01
      2  -0.104829D+00 -0.228320D-01 -0.560735D+01 -0.161410D+01  0.359646D+00
      3  -0.656629D-01  0.272666D+00 -0.161410D+01 -0.159792D+01 -0.768908D+00
               206           207           208           209           210 
      1   0.359646D+00 -0.768908D+00 -0.887886D+00  0.125409D+01  0.583886D+00
      2  -0.125730D+01 -0.113635D+01  0.125409D+01  0.182253D+00 -0.119432D+00
      3  -0.113635D+01 -0.804269D+00  0.583886D+00 -0.119432D+00 -0.158108D+00
               211           212           213           214           215 
      1   0.245512D+01 -0.349763D+00 -0.325036D+00  0.878020D+00 -0.472275D+00
      2  -0.349763D+00  0.581224D+01  0.107336D+01 -0.472275D+00  0.132949D+01
      3  -0.325036D+00  0.107336D+01  0.100477D+01  0.305633D+00  0.608574D+00
               216           217           218           219           220 
      1   0.305633D+00 -0.240695D+01  0.510471D+00 -0.728829D+00  0.316456D+01
      2   0.608574D+00  0.510471D+00 -0.667679D+00  0.564991D+00 -0.299234D+01
      3   0.239145D+00 -0.728829D+00  0.564991D+00 -0.261344D+00  0.390067D+00
               221           222           223           224           225 
      1  -0.299234D+01  0.390067D+00 -0.256635D+01  0.161325D+01 -0.109882D+01
      2   0.606103D+01 -0.167789D+01  0.161325D+01 -0.304905D+01  0.227796D+01
      3  -0.167789D+01  0.235235D+01 -0.109882D+01  0.227796D+01 -0.187354D+01
               226           227           228           229           230 
      1  -0.464515D+00 -0.384259D+00  0.520966D+00  0.118535D+01 -0.124216D+01
      2  -0.384259D+00  0.555595D+00  0.619940D+00 -0.124216D+01  0.262866D+01
      3   0.520966D+00  0.619940D+00  0.100640D+01 -0.314236D+00  0.166352D+01
               231           232           233           234           235 
      1  -0.314236D+00  0.300366D+01 -0.592170D+00 -0.138568D+01 -0.938664D+01
      2   0.166352D+01 -0.592170D+00  0.219503D+01  0.282375D+01 -0.189262D+01
      3   0.231372D+01 -0.138568D+01  0.282375D+01  0.684133D+01  0.776005D+00
               236           237           238           239           240 
      1  -0.189262D+01  0.776005D+00 -0.488122D+01 -0.181698D+01  0.654962D+00
      2  -0.159374D+01  0.278459D+00 -0.181698D+01 -0.139546D+01  0.906217D-01
      3   0.278459D+00 -0.121776D+01  0.654962D+00  0.906217D-01 -0.659619D+00
               241           242           243 
      1   0.227726D+00  0.279675D+00 -0.116492D+01
      2   0.279675D+00 -0.507262D-01 -0.328869D-01
      3  -0.116492D+01 -0.328869D-01  0.578450D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.252500D+01  0.107397D+02  0.180013D+01  0.107313D+02  0.378362D+01
      2  -0.710626D+01  0.428246D+00  0.538490D+01  0.226218D+01 -0.109573D+02
      3  -0.952982D+00 -0.994674D+01  0.105270D+01 -0.509428D+01 -0.801376D+01
                 6             7             8             9            10 
      1  -0.768541D+01  0.221923D+01 -0.155001D+01 -0.341012D+01  0.583508D+01
      2  -0.721774D+01 -0.129810D+01 -0.590288D+01  0.614258D+01  0.243467D+02
      3  -0.161801D+00 -0.134781D+01 -0.449416D+00  0.404001D+01  0.428890D+01
                11            12            13            14            15 
      1  -0.473385D+01  0.182533D+01 -0.310436D+01 -0.376969D-01 -0.340592D+01
      2  -0.660212D+01  0.117344D+02 -0.151068D+02  0.504404D+01  0.266045D+01
      3   0.455095D+01  0.195997D+01  0.102878D+02  0.145088D+02 -0.126617D+01
                16            17            18            19            20 
      1   0.898742D+00  0.550481D+01 -0.105716D+01 -0.675882D+01  0.309288D+01
      2   0.138787D+02  0.195905D+01 -0.279315D+01 -0.265506D+02  0.364282D+01
      3   0.410224D+01 -0.422503D+00 -0.348909D+01 -0.598587D+01 -0.428027D+01
                21            22            23            24            25 
      1  -0.235987D+01  0.161626D+01  0.542942D+01 -0.115902D+01 -0.175471D+01
      2   0.111273D+01  0.112270D+02 -0.364455D+01  0.427377D+01 -0.169841D+02
      3   0.592100D+00  0.881429D+01 -0.110678D+01  0.928997D+00  0.111125D+01
                26            27            28            29            30 
      1   0.384262D+01 -0.303991D+01  0.614678D+01 -0.728594D+00  0.156860D+01
      2   0.318521D+01 -0.331727D+01  0.310523D+02  0.252293D+00 -0.752788D+01
      3   0.108018D+01 -0.133624D+01  0.123998D+02  0.346221D+01 -0.253987D+01
                31            32            33            34            35 
      1   0.191289D+01 -0.327542D+01 -0.382625D+00 -0.191664D+01  0.251567D+01
      2  -0.595638D+01  0.114731D+01  0.446210D+00 -0.385917D+02 -0.652751D+00
      3   0.108258D+02  0.122561D+01 -0.364834D+00 -0.771237D+01 -0.186739D+01
                36            37            38            39            40 
      1   0.275479D+01 -0.170819D+01  0.354465D-01 -0.905052D-01  0.249665D+01
      2   0.792245D+01 -0.298347D+02 -0.234160D+01  0.110768D+02  0.646654D+01
      3   0.169841D+01 -0.214215D+02 -0.118498D+02  0.263268D+01  0.105071D+02
                41            42            43            44            45 
      1  -0.744612D+00  0.589957D-01  0.907043D+01  0.497160D+01 -0.107648D+01
      2  -0.267146D+00 -0.689781D+00  0.163316D+02 -0.151140D+01 -0.818469D+01
      3  -0.431901D+01 -0.315497D+01  0.726125D+01 -0.716977D+00 -0.500002D+00
                46            47            48            49            50 
      1  -0.103873D+01  0.278702D+01 -0.196730D+01  0.268255D+01 -0.190193D+01
      2   0.516345D+01  0.464854D+01 -0.122087D+02  0.113648D+02  0.119320D+01
      3   0.547790D+01  0.486134D+01 -0.165955D+01  0.370975D+02  0.253475D+02
                51            52            53            54            55 
      1   0.399397D+01  0.394666D+01  0.765041D+01  0.348222D+01  0.203149D+01
      2  -0.768942D+01 -0.235060D+02 -0.557255D+00  0.416240D+01 -0.113720D+01
      3  -0.102529D+01 -0.145664D+00  0.339454D+01  0.190408D+01 -0.243024D+01
                56            57            58            59            60 
      1  -0.519873D+00 -0.220296D-01 -0.396085D+00  0.358628D+00 -0.903004D+01
      2   0.130269D+00  0.736912D+01 -0.106283D+02 -0.840055D+00  0.121029D+02
      3  -0.948201D+01 -0.180579D+01 -0.207677D+02 -0.414478D+02 -0.218048D+01
                61            62            63            64            65 
      1   0.257053D+00  0.110976D+01 -0.216512D+01 -0.509044D+01  0.359524D+01
      2   0.533102D+01  0.669777D+01  0.295993D+01 -0.101939D+02  0.102026D+02
      3  -0.416496D+01 -0.509104D+01 -0.781774D+01  0.174263D+01 -0.168440D+02
                66            67            68            69            70 
      1  -0.739889D+01  0.345484D+01 -0.297899D+01 -0.425524D+01 -0.102342D+02
      2  -0.917981D+01  0.917574D+01  0.745535D+00 -0.327210D+01 -0.171392D+02
      3  -0.543147D+01 -0.612301D+01 -0.192546D+02 -0.451648D+01 -0.426646D+01
                71            72            73            74            75 
      1   0.155845D+01  0.847927D+01 -0.385178D+01  0.298635D+01  0.387213D+01
      2  -0.319065D-02  0.115548D+02  0.220099D+01 -0.142103D+01 -0.866160D+01
      3  -0.459944D+01  0.902359D+01  0.795297D+01 -0.142712D+02  0.717563D+01
                76            77            78            79            80 
      1   0.191250D+01  0.311594D+01  0.614757D+00  0.786865D+01  0.616278D+01
      2  -0.478322D+01 -0.183139D+01 -0.590611D+01 -0.215808D+02 -0.858832D+01
      3  -0.720414D+01 -0.147745D+02  0.108943D+00  0.760679D+01 -0.756403D+00
                81            82            83            84            85 
      1   0.193353D+01  0.489218D+01 -0.569547D+01 -0.268266D+01 -0.799191D+01
      2  -0.578886D+01 -0.441662D+01  0.242108D+01  0.244472D+01  0.512117D+01
      3   0.186315D+01 -0.103921D+02 -0.927701D+00 -0.827710D+01  0.669368D+01
                86            87            88            89            90 
      1  -0.985942D+01  0.109792D+01 -0.207184D+01  0.848923D+01  0.126940D+01
      2   0.371890D+01 -0.104452D+01 -0.179853D+01 -0.142736D+00 -0.170652D+00
      3   0.515506D+01  0.819952D+00 -0.111218D+02  0.271479D+00  0.635885D+01
                91            92            93            94            95 
      1   0.602325D+00  0.149148D+01  0.242086D+01  0.445044D+01 -0.342610D+01
      2  -0.466561D+01  0.524452D+01  0.114938D+02  0.682524D+01 -0.501233D+01
      3   0.186460D+02  0.234459D+01 -0.564659D+01  0.193118D+02 -0.141927D+02
                96            97            98            99           100 
      1   0.934686D+00 -0.634533D+01  0.874607D+01  0.190089D+01  0.359013D+01
      2   0.120010D+02 -0.988738D+01  0.207058D+02  0.150542D+02 -0.789757D+01
      3   0.171987D+01 -0.539448D+01  0.517865D+01 -0.161715D+02  0.381639D+01
               101           102           103           104           105 
      1  -0.248812D+00 -0.358088D+01  0.492212D+00  0.669461D+00 -0.164383D+01
      2  -0.144666D+01  0.924345D+01 -0.114809D+01 -0.163605D+01  0.186881D+01
      3  -0.425910D+01 -0.194398D+01  0.765800D-01  0.572177D+00  0.140618D+01
               106           107           108           109           110 
      1  -0.374120D+01  0.280358D+00  0.398624D+01 -0.184528D+01 -0.166722D+00
      2   0.668886D+01  0.304517D+01 -0.888493D+01  0.286882D+01  0.218317D+01
      3  -0.379991D+01  0.511048D+01  0.480600D+00  0.171014D+00 -0.217237D+01
               111           112           113           114           115 
      1  -0.290149D+01 -0.164266D+01 -0.116895D+01 -0.280842D+01 -0.459038D+01
      2   0.710581D+01  0.169479D+01  0.436062D+01  0.471702D+01  0.882746D+01
      3  -0.322632D+00 -0.287056D-02 -0.291946D+01 -0.256278D+01 -0.776819D-01
               116           117           118           119           120 
      1   0.819395D+00 -0.789141D+01  0.809100D+00 -0.153138D+01 -0.376569D+00
      2   0.644960D+01  0.170669D+02  0.418964D+01 -0.119805D+01  0.134697D+01
      3  -0.708167D+01 -0.177987D+01  0.150977D+01 -0.175533D+01 -0.634169D+00
               121           122           123           124           125 
      1  -0.283015D+01 -0.805064D-01  0.394876D+00  0.101906D+01  0.413924D+01
      2  -0.487814D+01  0.536992D+00 -0.661033D+00 -0.388595D+01 -0.797471D+00
      3   0.124453D+01 -0.266814D+00  0.553354D+00 -0.865680D+00  0.168947D+01
               126           127           128           129           130 
      1   0.293040D+01 -0.297465D+01  0.178744D+01  0.417781D+01  0.170191D+01
      2  -0.428698D+01  0.259110D+01 -0.739384D+00 -0.323138D+00 -0.920566D+00
      3   0.111292D+01 -0.856417D+01  0.155454D+01  0.450699D+01  0.358663D+01
               131           132           133           134           135 
      1  -0.165446D+01 -0.368157D+01  0.295355D+01 -0.196906D+01 -0.840284D+01
      2   0.928420D+00  0.785704D+00 -0.331848D+01  0.177095D+01  0.237903D+01
      3  -0.512941D+01 -0.257281D+01  0.784318D+01 -0.402007D+01 -0.585913D+01
               136           137           138           139           140 
      1   0.105861D+00  0.539356D+00  0.492445D+00 -0.375106D+00  0.351072D+01
      2   0.133209D+00  0.177943D+00  0.474550D+00  0.105982D+01 -0.300864D+01
      3  -0.127246D+01  0.946797D+00 -0.324536D+00  0.488160D+01 -0.995251D+01
               141           142           143           144           145 
      1  -0.660783D+01  0.771943D+00 -0.362997D+01  0.685579D+01 -0.327545D+01
      2   0.226737D+01 -0.240591D+01  0.321047D+01 -0.329221D+01  0.621617D+01
      3   0.439724D+01 -0.273373D+01  0.573036D+01 -0.542839D+01  0.715363D+01
               146           147           148           149           150 
      1  -0.554455D+01 -0.130355D+01 -0.460742D+01 -0.940334D+01 -0.202122D+01
      2   0.424384D+01 -0.124246D+01  0.512750D+01  0.742652D+01 -0.184562D+01
      3   0.517145D+01 -0.118544D+01  0.832861D+01  0.107540D+02 -0.259616D+01
               151           152           153           154           155 
      1  -0.912172D+00  0.770103D+00 -0.132029D+01  0.399559D+01 -0.565893D+01
      2  -0.142311D+01 -0.754955D+00  0.790127D+00  0.943180D+01 -0.394979D+01
      3   0.107582D+01  0.239333D+00  0.136607D+01 -0.279464D+00  0.281078D+00
               156           157           158           159           160 
      1  -0.214895D+01 -0.454327D+01  0.762872D+01  0.205478D+01 -0.228989D+01
      2  -0.390344D+01 -0.636989D+01  0.569346D+01  0.534696D+01 -0.535461D+01
      3  -0.175529D+00  0.243892D+01 -0.934742D+00 -0.843536D+00  0.399760D+00
               161           162           163           164           165 
      1   0.454829D+01  0.374991D+01  0.106320D+01  0.210428D+01  0.222356D+01
      2   0.360359D+01  0.544631D+01 -0.340998D+01 -0.552192D+00  0.422499D+01
      3  -0.196542D+00 -0.904551D+00 -0.198584D+01 -0.295745D+01 -0.217989D+00
               166           167           168           169           170 
      1   0.163140D+00 -0.100124D+01  0.758772D-01  0.113115D+01  0.280122D+01
      2   0.784127D+00  0.147836D+01  0.131757D+00 -0.326760D+01 -0.242997D-01
      3   0.405021D+00  0.185306D+01 -0.130618D+01 -0.178918D+01 -0.185634D+01
               171           172           173           174           175 
      1   0.281997D+01 -0.257066D+01 -0.120326D+01  0.403405D+01 -0.780865D+00
      2   0.355784D+01 -0.301225D+01 -0.719867D+00  0.700191D+01 -0.107045D+01
      3  -0.733379D+00 -0.264629D+01 -0.128587D+01  0.320147D+01  0.173459D-01
               176           177           178           179           180 
      1  -0.251165D+01  0.194099D+01  0.470744D+01  0.442750D+01 -0.109593D+02
      2  -0.253475D+01  0.447933D+01  0.518283D+01  0.614980D+00 -0.195078D+02
      3  -0.198324D+01  0.336250D+01  0.343499D+01  0.597098D+01 -0.481292D+01
               181           182           183           184           185 
      1   0.843487D+00  0.471378D+00 -0.177245D+01  0.310534D+00  0.240970D+01
      2  -0.113977D+01 -0.285574D+01 -0.713073D+00 -0.213352D+01 -0.438508D+01
      3   0.791742D+01  0.117762D+02  0.222682D+01  0.815993D+01  0.264727D+02
               186           187           188           189           190 
      1  -0.400867D+01  0.299965D+00  0.124188D+00 -0.133942D+01  0.524298D+01
      2  -0.317788D+01 -0.415228D+00 -0.301850D+01 -0.229232D+01  0.985597D+01
      3   0.449898D+01  0.152985D+01  0.360590D+01  0.295381D+01 -0.369169D+01
               191           192           193           194           195 
      1  -0.194241D+01  0.477358D+01 -0.224762D+01  0.164142D+01 -0.184201D+01
      2  -0.429168D+01  0.103176D+02 -0.361606D+01  0.273407D+01 -0.198523D+01
      3  -0.395786D+01 -0.639271D+00 -0.377921D+00  0.406308D+01 -0.431329D+00
               196           197           198           199           200 
      1   0.421903D+01 -0.411106D+00  0.355830D+01 -0.653748D+00  0.554555D+00
      2   0.801476D+01 -0.289462D+01  0.771435D+01  0.681769D+00 -0.587500D+00
      3  -0.622041D+00 -0.397638D+01 -0.114657D+01  0.114037D+01  0.205675D+00
               201           202           203           204           205 
      1  -0.727868D+00  0.120288D+01  0.534145D+01 -0.267752D+01 -0.601360D+01
      2   0.120437D+00 -0.244622D+01 -0.441339D+00  0.160112D+01 -0.175032D+01
      3  -0.275611D+00  0.473039D+01 -0.324135D+01  0.204143D+00  0.142762D+01
               206           207           208           209           210 
      1   0.124435D+01  0.398892D+00 -0.179687D+01  0.163864D+00  0.238057D+00
      2   0.112014D+01  0.896742D-01 -0.385923D+01  0.170935D+00  0.646341D+00
      3  -0.812569D-01 -0.142336D+01  0.362584D+01  0.161044D+01  0.204993D+00
               211           212           213           214           215 
      1   0.176663D+01 -0.854017D+00 -0.398854D+01 -0.635010D+01  0.397149D+00
      2   0.238031D+01 -0.280961D+01 -0.257431D+01 -0.969167D+01 -0.160861D+01
      3   0.515441D+01  0.109863D+02  0.205558D+01  0.125877D+01  0.219516D+01
               216           217           218           219           220 
      1   0.152439D-01  0.200317D+00 -0.831017D+00  0.675019D+00 -0.243046D+01
      2   0.443456D+00  0.119275D+01 -0.218777D+01  0.272546D+01 -0.366681D+01
      3   0.117773D+01  0.416204D+00 -0.342121D+01  0.170527D+01 -0.784233D+01
               221           222           223           224           225 
      1   0.462423D+01 -0.454314D+01  0.260617D+01 -0.276457D+01  0.334764D+01
      2   0.946411D+01 -0.100717D+02  0.709441D+01 -0.113178D+02  0.813772D+01
      3   0.232652D+02 -0.702418D+01  0.427292D+01 -0.122420D+02  0.896521D+01
               226           227           228           229           230 
      1   0.469710D+00 -0.272727D+00 -0.108565D+01 -0.429595D-01  0.156535D-01
      2   0.296880D-02 -0.353633D+01 -0.508365D+01  0.149184D+00 -0.736865D+01
      3  -0.454415D+00  0.863237D+00  0.287662D+01 -0.261694D+01  0.953160D+01
               231           232           233           234           235 
      1  -0.239761D+01  0.160022D+01  0.125717D+00 -0.531613D+01 -0.173863D+01
      2  -0.994679D+01  0.401238D+01 -0.131077D+02 -0.301801D+02  0.450631D+00
      3   0.663722D+01  0.102131D+01  0.870488D+01  0.109497D+02 -0.145008D+02
               236           237           238           239           240 
      1  -0.127143D+01  0.317078D+00 -0.105645D+01 -0.792891D+00 -0.756583D+00
      2  -0.154303D+00  0.674799D+01 -0.913978D+00  0.265380D+00  0.339985D+01
      3  -0.107068D+02  0.178196D+01 -0.809435D+01 -0.788133D+01  0.470571D+00
               241           242           243 
      1   0.969725D+00  0.585026D+00 -0.342021D+00
      2   0.249814D+01  0.202718D+00 -0.187928D+01
      3   0.169606D+01  0.186035D+00 -0.491367D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.585810D+01  0.511259D+01 -0.874835D+01  0.208465D+01  0.191201D+02
      2   0.685016D+01 -0.178088D+02  0.117878D+02 -0.139272D+02 -0.122846D+02
      3  -0.127083D+02  0.126962D+02 -0.303944D+01  0.118426D+02 -0.683555D+01
      4   0.712714D+01  0.815218D+01  0.122192D+02  0.985482D+01 -0.597038D+00
      5  -0.214768D+02  0.113957D+02 -0.246274D+02  0.113769D+02  0.337316D+01
      6   0.667448D+01  0.687194D+01  0.112489D+02  0.714935D+01  0.664672D+01
                 6             7             8             9            10 
      1   0.940399D+01 -0.506808D+01  0.118376D+02 -0.172239D+02 -0.189389D+00
      2   0.311548D+00  0.922663D+01 -0.211286D+01  0.966477D+01 -0.294865D+01
      3  -0.971554D+01 -0.415855D+01 -0.972478D+01  0.755918D+01  0.313804D+01
      4  -0.664155D+01  0.147158D+02 -0.660785D+01  0.326907D+01 -0.171267D+02
      5   0.889440D+00 -0.246270D+02  0.551798D+01 -0.952906D+01  0.100340D+02
      6  -0.246664D+01  0.111966D+02 -0.223327D+01 -0.570518D+01 -0.798195D+01
                11            12            13            14            15 
      1  -0.690953D+01  0.200863D+01  0.226448D+01 -0.230501D+02 -0.923481D+01
      2   0.103727D+02 -0.178876D+01  0.556638D+00  0.106827D+02  0.226230D+01
      3  -0.346315D+01 -0.219871D+00 -0.282112D+01  0.123674D+02  0.697251D+01
      4  -0.117887D+02 -0.119367D+02 -0.146617D+02 -0.204678D+02  0.551394D+01
      5  -0.105107D+02  0.143866D+02 -0.121657D+02  0.101323D+01  0.642435D+01
      6   0.708221D+01 -0.196910D+01  0.204139D+01 -0.987420D+01 -0.119552D+01
                16            17            18            19            20 
      1   0.365461D+01 -0.147208D+02  0.146544D+02  0.342254D+02  0.105138D+02
      2   0.383982D+01  0.580768D+01 -0.111596D+02 -0.136793D+02 -0.104859D+02
      3  -0.749442D+01  0.891312D+01 -0.349478D+01 -0.205461D+02 -0.278265D-01
      4  -0.197755D+02  0.116785D+02  0.141792D+01  0.223180D+02 -0.448061D+01
      5   0.222591D+02  0.194214D+01 -0.855745D+01  0.118285D+02  0.270529D+01
      6  -0.290437D+01 -0.386432D+00  0.755052D+01  0.836268D+01  0.120919D+01
                21            22            23            24            25 
      1  -0.436146D+01  0.383017D+01  0.252607D+01  0.289624D+01 -0.206442D+02
      2  -0.239851D+01 -0.402835D+01 -0.576061D+01 -0.121151D+01 -0.635506D+01
      3   0.675997D+01  0.198178D+00  0.323454D+01 -0.168473D+01  0.269993D+02
      4   0.447407D+01 -0.546438D+01 -0.198298D+01 -0.428593D+01  0.118433D+02
      5  -0.589064D+01  0.533716D+01 -0.709891D+00  0.368883D+01 -0.173584D+02
      6   0.166545D+00  0.167962D+01  0.381955D+01  0.286473D+01 -0.253933D+01
                26            27            28            29            30 
      1   0.721650D+01  0.104415D+02 -0.110387D+03 -0.244187D+01  0.798707D+01
      2  -0.537862D+01  0.128009D+02  0.429626D+02 -0.988122D+00 -0.254917D+01
      3  -0.183788D+01 -0.232424D+02  0.674239D+02  0.342999D+01 -0.543790D+01
      4  -0.887957D+01  0.276103D+01 -0.144987D+02 -0.851585D+01  0.201249D+01
      5   0.312342D+01  0.154751D+02 -0.105709D+02  0.192427D+01 -0.940497D+01
      6   0.340976D+01 -0.902735D+00 -0.755846D+01 -0.325176D+01  0.170725D+01
                31            32            33            34            35 
      1   0.372010D+02  0.365945D+01  0.284349D+01  0.370268D+02  0.690229D+01
      2  -0.168150D+02 -0.251931D+01 -0.220569D+01 -0.876164D+01 -0.477524D+01
      3  -0.203860D+02 -0.114014D+01 -0.637800D+00 -0.282652D+02 -0.212704D+01
      4   0.939847D+00 -0.328061D+01 -0.164532D+01  0.270934D+01  0.496341D+01
      5  -0.215396D+01 -0.275091D+01  0.132008D+01 -0.163490D+01 -0.152405D+01
      6  -0.115558D+01 -0.894440D+01 -0.199489D+01 -0.310180D+00  0.358181D+01
                36            37            38            39            40 
      1  -0.261328D+02  0.135066D+03  0.837085D+01 -0.130755D+02 -0.344889D+02
      2  -0.118983D+01 -0.483390D+02 -0.147976D+01  0.349972D+01  0.162377D+02
      3   0.273226D+02 -0.867269D+02 -0.689109D+01  0.957575D+01  0.182511D+02
      4  -0.204248D+01  0.228662D+02  0.205322D+02 -0.357794D+01  0.211866D+02
      5   0.901395D+01  0.531641D+01 -0.118337D+01  0.168746D+02 -0.198794D+00
      6  -0.302404D+01  0.794652D+01  0.271899D+01 -0.363950D+01  0.203092D+01
                41            42            43            44            45 
      1   0.901198D+01  0.775828D+01 -0.348114D+02  0.742629D+00  0.363194D+01
      2  -0.820471D+01 -0.291695D+01  0.156186D+02 -0.246135D+01 -0.615775D+01
      3  -0.807264D+00 -0.484134D+01  0.191928D+02  0.171872D+01  0.252582D+01
      4   0.711223D+01  0.284919D+01 -0.971637D+01  0.126555D+01 -0.262513D+01
      5   0.525807D+01 -0.585420D+01  0.227056D+02 -0.373408D+01 -0.481686D+01
      6  -0.255199D+01  0.421164D+01 -0.101351D+02  0.508173D+01 -0.635119D+00
                46            47            48            49            50 
      1  -0.579667D+02  0.568867D+01  0.398208D+01 -0.424717D+02 -0.185786D+02
      2   0.158262D+02 -0.560004D+01 -0.563177D+01  0.458916D+01 -0.388401D+01
      3   0.421405D+02 -0.886312D-01  0.164968D+01  0.378826D+02  0.224626D+02
      4  -0.988908D+01 -0.214677D+02 -0.283356D+01 -0.673659D+02 -0.458103D+02
      5   0.432292D+01 -0.640926D+01 -0.157421D+02 -0.209659D+02 -0.707084D+01
      6  -0.101975D+02  0.222733D+01  0.270424D+01 -0.742675D+01 -0.561167D+01
                51            52            53            54            55 
      1  -0.288610D+01  0.372430D+01 -0.722006D+01 -0.215238D+01  0.339436D+02
      2   0.473557D+01 -0.512350D+01 -0.811952D+00 -0.389653D+01 -0.135432D+02
      3  -0.184947D+01  0.139919D+01  0.803202D+01  0.604892D+01 -0.204004D+02
      4  -0.159897D+01 -0.188782D+02 -0.377551D+01 -0.408971D+01  0.250138D+02
      5  -0.440082D+01  0.261511D+01 -0.492760D+01  0.149103D+01  0.708610D+01
      6  -0.670117D+01  0.931454D+00  0.385585D+01 -0.450492D+01  0.247851D+01
                56            57            58            59            60 
      1   0.120786D+02  0.206800D+01  0.679213D+02  0.345653D+01 -0.430267D+01
      2  -0.270331D+01 -0.610238D-01 -0.162113D+02  0.297495D+02  0.825060D+00
      3  -0.937527D+01 -0.200698D+01 -0.517101D+02 -0.332060D+02  0.347761D+01
      4   0.254892D+02  0.454680D+01  0.734596D+02  0.801595D+02  0.552602D+01
      5   0.572587D+01  0.125326D+02  0.103209D+02  0.116152D+02  0.158394D+02
      6   0.161048D+01  0.207587D+01  0.852320D+01  0.655899D+01  0.147004D+02
                61            62            63            64            65 
      1   0.172639D+02  0.338692D+01 -0.379502D+00 -0.275728D+02  0.239506D+02
      2  -0.627426D+01 -0.954344D+00 -0.616307D-01  0.111240D+02 -0.221747D+02
      3  -0.109896D+02 -0.243257D+01  0.441133D+00  0.164488D+02 -0.177593D+01
      4   0.152018D+02  0.839887D+01  0.200673D+02  0.203290D+02  0.893632D+01
      5   0.210184D+02  0.199117D+02  0.996377D+01 -0.155314D+02  0.157943D+02
      6   0.922467D+01  0.136483D+02  0.633465D+01  0.105239D+02 -0.131373D+02
                66            67            68            69            70 
      1  -0.117471D+02  0.167930D+02  0.287406D+02  0.185082D+02 -0.189224D+02
      2  -0.385083D+01 -0.137871D+02 -0.254189D+02 -0.124187D+02 -0.260726D+01
      3   0.155979D+02 -0.300586D+01 -0.332164D+01 -0.608954D+01  0.215297D+02
      4   0.199468D+02  0.955163D+01  0.594789D+01 -0.693702D+01  0.251180D+02
      5  -0.182289D+02  0.172534D+02 -0.519063D+01 -0.108835D+02 -0.247695D+02
      6   0.574452D+01 -0.104362D+02 -0.172475D+01  0.300662D+01  0.765020D+01
                71            72            73            74            75 
      1   0.210078D+02 -0.236117D+02 -0.905090D+00 -0.141672D+02  0.204066D+02
      2  -0.124634D+02  0.232940D+02 -0.746312D+00  0.103482D+02 -0.118109D+02
      3  -0.854444D+01  0.317721D+00  0.165140D+01  0.381898D+01 -0.859572D+01
      4  -0.102650D+02  0.768953D+00 -0.129899D+02  0.140950D+01  0.311797D+01
      5  -0.525093D+01  0.273857D+02  0.107475D+02 -0.243442D+01 -0.198305D+02
      6   0.318864D+01 -0.531885D+01  0.419476D+01 -0.629744D+01 -0.685261D+01
                76            77            78            79            80 
      1  -0.178831D+02  0.111474D+02 -0.507019D+01  0.220469D+02  0.191330D+00
      2   0.170568D+02  0.257605D+01  0.412742D+01 -0.123569D+02  0.381487D+00
      3   0.826327D+00 -0.137234D+02  0.942774D+00 -0.969008D+01 -0.572818D+00
      4   0.888610D+01  0.339819D+02 -0.379878D+01 -0.168000D+01 -0.862207D+01
      5  -0.934333D+01  0.175515D+01 -0.122313D+02 -0.329976D+02 -0.162455D+02
      6  -0.300506D+01  0.751513D+00 -0.473483D+01 -0.135307D+02 -0.682605D+01
                81            82            83            84            85 
      1  -0.200168D+02 -0.163449D+02 -0.281984D+01 -0.136225D+02 -0.328428D+00
      2   0.134255D+02  0.141431D+02  0.769845D+01  0.130247D+02  0.355326D+01
      3   0.659133D+01  0.220178D+01 -0.487861D+01  0.597749D+00 -0.322483D+01
      4  -0.209786D+02 -0.117938D+01  0.944887D+01 -0.422402D+01  0.896771D+01
      5  -0.110203D+02 -0.671120D+01  0.200389D+01  0.127696D+01  0.520622D+01
      6  -0.898753D+01 -0.100112D+02  0.568219D+01  0.332725D+01  0.304919D+01
                86            87            88            89            90 
      1   0.109962D+02 -0.630086D+01 -0.158452D+02 -0.123558D+02  0.136887D+02
      2  -0.612075D+01  0.100812D+02  0.146768D+02  0.186777D+02 -0.155431D+02
      3  -0.487550D+01 -0.378029D+01  0.116838D+01 -0.632184D+01  0.185439D+01
      4  -0.201033D+01  0.118006D+02 -0.358765D+01  0.168646D+02 -0.113641D+01
      5   0.614940D+01 -0.230809D+01  0.324477D+01 -0.387697D+01  0.512178D+00
      6   0.175032D+02 -0.129353D+02  0.438518D+01 -0.180941D+02  0.255104D+01
                91            92            93            94            95 
      1  -0.263498D+02 -0.355484D+02 -0.333086D-01 -0.527258D+02 -0.141835D+02
      2   0.154547D+02  0.192478D+02  0.195677D+01  0.282173D+02  0.473834D+01
      3   0.108951D+02  0.163006D+02 -0.192346D+01  0.245085D+02  0.944512D+01
      4  -0.414623D+02  0.182303D+01  0.134761D+02 -0.171271D+02  0.265045D+02
      5  -0.567489D+01  0.147538D+02  0.137061D+02  0.164181D+02 -0.930013D+01
      6   0.628335D+01 -0.356314D+01 -0.570424D+01 -0.399576D+01  0.567047D+01
                96            97            98            99           100 
      1   0.141601D+02 -0.965766D+01  0.150550D+02  0.139137D+02  0.492154D+02
      2  -0.374751D+00  0.959381D-01  0.264229D+01 -0.460309D+01 -0.243765D+02
      3  -0.137854D+02  0.956172D+01 -0.176973D+02 -0.931062D+01 -0.248389D+02
      4  -0.967370D+01  0.167975D+02 -0.159746D+02  0.261803D+02  0.251594D+02
      5   0.215362D+02 -0.420843D+00  0.282157D+02  0.204996D+02 -0.212046D+02
      6  -0.533013D+01  0.237669D+01 -0.965954D+01 -0.829432D+01 -0.558460D+01
               101           102           103           104           105 
      1   0.101975D+02 -0.176447D+02  0.442477D+01  0.461125D+01  0.478468D-02
      2  -0.263366D+01  0.941834D+01 -0.388952D-01 -0.668393D+00 -0.149639D+01
      3  -0.756384D+01  0.822639D+01 -0.438588D+01 -0.394285D+01  0.149161D+01
      4   0.150802D+02 -0.818415D+01  0.117611D+02  0.553957D+01 -0.533388D+01
      5  -0.401113D+01  0.178822D+02 -0.202196D+01 -0.526232D+01  0.369139D+01
      6  -0.204726D+01  0.557162D+01 -0.239778D+01 -0.257419D+01  0.408444D+01
               106           107           108           109           110 
      1  -0.295481D+02 -0.351361D+01  0.150217D+02  0.192162D+02  0.776691D+01
      2   0.161192D+02 -0.848592D+00 -0.110949D+02 -0.107010D+02 -0.342274D+01
      3   0.134289D+02  0.436221D+01 -0.392683D+01 -0.851523D+01 -0.434417D+01
      4  -0.151459D+02 -0.118055D+02  0.123336D+02  0.166869D+02  0.108291D+02
      5   0.236563D+02  0.791219D+01 -0.192134D+02  0.150285D+02  0.675882D+01
      6   0.748923D+01  0.515046D+01 -0.641557D+01  0.696002D+01  0.436760D+01
               111           112           113           114           115 
      1   0.672400D+01  0.636018D+01 -0.137983D+01  0.297140D+00  0.148456D+02
      2  -0.474222D+01 -0.184336D+01  0.429465D+01  0.141893D+01 -0.109712D+02
      3  -0.198178D+01 -0.451682D+01 -0.291482D+01 -0.171607D+01 -0.387434D+01
      4   0.837753D+01  0.133165D+02  0.107655D+02  0.108618D+02  0.190668D+02
      5   0.169515D+02  0.745857D+01  0.945995D+01  0.948371D+01  0.296792D+02
      6   0.626878D+01  0.620152D+01  0.756154D+01  0.904460D+01  0.134962D+02
               116           117           118           119           120 
      1   0.120659D+01  0.629184D+01 -0.685708D+00 -0.202149D+00  0.141881D+01
      2   0.133992D+01 -0.124350D+02 -0.588960D+01  0.106087D+01  0.451977D+01
      3  -0.254651D+01  0.614313D+01  0.657531D+01 -0.858719D+00 -0.593858D+01
      4   0.192964D+02  0.193226D+02 -0.183641D+01  0.401450D+01 -0.427281D+00
      5   0.153503D+02  0.356852D+02 -0.942837D+01  0.647255D+00  0.121719D+02
      6   0.127412D+02  0.185044D+02 -0.389164D+00 -0.146207D+01  0.141828D+00
               121           122           123           124           125 
      1   0.562619D+01 -0.411721D+01 -0.234228D+01  0.842612D+01  0.395573D+00
      2  -0.139728D+01 -0.282640D+00 -0.107644D+01  0.619570D+01 -0.310051D+01
      3  -0.422891D+01  0.439985D+01  0.341873D+01 -0.146218D+02  0.270494D+01
      4   0.533982D+01  0.730580D+00 -0.302652D+01 -0.361591D+00 -0.394681D+01
      5   0.195168D+01 -0.306835D+01 -0.167301D+01  0.177890D+02 -0.174979D+01
      6  -0.160017D+01  0.145008D+01  0.668743D+01  0.190471D+01  0.491800D+01
               126           127           128           129           130 
      1  -0.228480D+02 -0.334904D+01  0.792657D+01  0.536518D+01  0.482868D+01
      2  -0.183143D+02  0.320029D+01 -0.102248D+02 -0.479996D+01 -0.563632D+01
      3   0.411623D+02  0.148754D+00  0.229825D+01 -0.565227D+00  0.807644D+00
      4  -0.102517D+01 -0.611745D+01  0.100905D+01  0.293221D+01  0.249412D+01
      5  -0.234824D+02  0.749469D-01 -0.328091D+00 -0.561674D+00 -0.184718D+00
      6  -0.875267D+00  0.598721D+01 -0.393445D+01 -0.604590D+01 -0.264280D+01
               131           132           133           134           135 
      1  -0.118272D+02 -0.433777D+01  0.887901D+01 -0.904832D+01 -0.127690D+02
      2   0.139591D+02  0.426653D+01 -0.609187D+01  0.103989D+02  0.830194D+01
      3  -0.213189D+01  0.712449D-01 -0.278715D+01 -0.135060D+01  0.446707D+01
      4  -0.794353D+00 -0.119281D+01  0.603775D+01 -0.682220D-01 -0.192125D+01
      5   0.415658D+00  0.115108D+01  0.265726D+00  0.182327D+01  0.335415D+01
      6   0.421619D+01  0.820724D+01 -0.505018D+01  0.108518D+02  0.124943D+02
               136           137           138           139           140 
      1  -0.136071D+01  0.380983D+01 -0.702930D+00  0.292330D+01 -0.311557D+02
      2   0.276488D+01 -0.247513D+01 -0.179234D+00 -0.543052D+00  0.416147D+02
      3  -0.140417D+01 -0.133470D+01  0.882163D+00 -0.238025D+01 -0.104590D+02
      4   0.427251D+01  0.721180D+01 -0.286780D+01  0.786882D+01  0.183856D+02
      5  -0.774317D+00 -0.272419D+01  0.335732D+01 -0.207815D+01 -0.805089D+01
      6  -0.313864D+01 -0.362482D+00 -0.672327D+00 -0.777448D+00 -0.257194D+02
               141           142           143           144           145 
      1   0.148502D+02 -0.690342D+00  0.215700D+02 -0.178808D+02 -0.731012D+01
      2  -0.162155D+02 -0.149806D+01 -0.232631D+02  0.126068D+02  0.615963D+01
      3   0.136532D+01  0.218840D+01  0.169304D+01  0.527397D+01  0.115049D+01
      4  -0.832998D+01 -0.469291D+01 -0.128794D+02  0.772218D+01  0.175350D+01
      5   0.549174D+01  0.299597D+01  0.850116D+01 -0.752317D+01 -0.308852D+01
      6   0.185107D+02  0.423440D-01  0.242827D+02 -0.207859D+02 -0.503923D+01
               146           147           148           149           150 
      1  -0.103431D+02  0.614417D+01 -0.810538D+01 -0.220041D+02  0.682382D+01
      2   0.116600D+02 -0.179569D+01  0.954364D+01  0.257846D+02 -0.178566D+01
      3  -0.131689D+01 -0.434847D+01 -0.143826D+01 -0.378045D+01 -0.503816D+01
      4  -0.822666D+00 -0.951979D+00  0.203476D+01 -0.823596D+01  0.244770D+01
      5  -0.417545D+01  0.225925D+01 -0.618031D+01 -0.249950D+01 -0.274975D+01
      6  -0.928955D+01  0.355696D+01 -0.609019D+01 -0.180099D+02  0.933717D+01
               151           152           153           154           155 
      1   0.141759D+01  0.526563D+00 -0.224427D+01 -0.680130D+01  0.277552D+01
      2   0.915034D-01  0.195975D+01  0.829131D+00 -0.182367D+01  0.292457D+01
      3  -0.150909D+01 -0.248632D+01  0.141514D+01  0.862498D+01 -0.570009D+01
      4  -0.106273D+01 -0.492053D+00 -0.610472D+00  0.278011D+01 -0.336138D+01
      5   0.283629D+01 -0.532531D+00  0.126758D+00 -0.255861D+01  0.829868D+00
      6   0.138679D+01  0.496957D+01 -0.168874D+01  0.251945D+01 -0.582766D+01
               156           157           158           159           160 
      1   0.968589D+01  0.475787D+01 -0.889528D+01 -0.998300D+01  0.552567D+01
      2   0.240124D+01  0.109457D+01  0.214224D+01 -0.428034D+01  0.140565D+01
      3  -0.120871D+02 -0.585244D+01  0.675304D+01  0.142633D+02 -0.693132D+01
      4  -0.303150D+01 -0.327471D+01  0.645237D+01  0.375078D+01 -0.321572D+01
      5   0.306531D+01  0.228468D+01 -0.730782D+00  0.372748D+01  0.555062D+01
      6  -0.264695D+01 -0.420776D+01  0.820658D+01  0.538991D+01 -0.318601D+01
               161           162           163           164           165 
      1  -0.586655D+01 -0.100625D+02  0.169920D+02 -0.142233D+01  0.343650D+01
      2  -0.220930D+01 -0.654856D+01 -0.180939D+02  0.275113D+01 -0.156624D+02
      3   0.807585D+01  0.166111D+02  0.110188D+01 -0.132880D+01  0.122259D+02
      4   0.299937D+01  0.330334D+01 -0.127248D+02  0.985358D+01 -0.963189D+01
      5  -0.467871D+00  0.201715D+01  0.328156D+02 -0.972001D+01  0.314394D+02
      6   0.604348D+01  0.411527D+01 -0.775268D+01  0.734723D+01 -0.945514D+01
               166           167           168           169           170 
      1  -0.797553D+00 -0.172717D+01  0.122303D+01  0.447861D+01  0.104178D+01
      2   0.152094D+01  0.485475D+00  0.386718D+00 -0.128507D+02  0.158680D+01
      3  -0.723391D+00  0.124169D+01 -0.160975D+01  0.837212D+01 -0.262858D+01
      4   0.678144D+01 -0.551937D+01  0.666537D+01 -0.796412D+01  0.641496D+01
      5  -0.542162D+01  0.673689D+01 -0.533244D+01  0.249295D+02 -0.794390D+01
      6   0.458366D+01 -0.559000D+01  0.754198D+01 -0.718010D+01  0.752941D+01
               171           172           173           174           175 
      1  -0.287168D+01  0.171322D+02 -0.164492D+01 -0.959907D+01  0.611983D+01
      2  -0.169536D+02 -0.123767D+02  0.589651D+00  0.105105D+02 -0.429654D+01
      3   0.198253D+02 -0.475550D+01  0.105527D+01 -0.911440D+00 -0.182328D+01
      4  -0.814726D+01 -0.516176D+01  0.344213D+01  0.692401D+00  0.908786D+00
      5   0.295599D+02 -0.143803D+02 -0.149883D+01  0.193545D+02 -0.697332D+01
      6  -0.103066D+02  0.254300D+01 -0.208560D+00 -0.523842D+01  0.267105D+00
               176           177           178           179           180 
      1  -0.179258D+01 -0.480901D+01 -0.151967D+02 -0.269074D+01  0.954993D+01
      2   0.925534D-01  0.731881D+01  0.150139D+02  0.519452D+01 -0.239488D+02
      3   0.170003D+01 -0.250980D+01  0.182813D+00 -0.250377D+01  0.143989D+02
      4   0.405226D+01 -0.462749D+01  0.446099D+01 -0.945550D+01 -0.348184D+01
      5  -0.490119D+01  0.979915D+01  0.269594D+02 -0.129960D-01 -0.456941D+02
      6  -0.493405D+00  0.168820D+01 -0.726154D+01  0.513170D+01  0.142691D+02
               181           182           183           184           185 
      1  -0.685494D+01 -0.182193D+02 -0.200414D+01 -0.141552D+02 -0.322850D+02
      2   0.695661D+01  0.200620D+02  0.216327D+01  0.956300D+01  0.446134D+02
      3  -0.101674D+00 -0.184264D+01 -0.159126D+00  0.459220D+01 -0.123284D+02
      4   0.377047D+00 -0.778174D+01 -0.337931D+01  0.585009D+01 -0.308243D+02
      5   0.275221D+01 -0.197967D+01 -0.115415D+01  0.101042D+01 -0.345639D+01
      6   0.753206D+00  0.574886D+01  0.430999D+01  0.199454D+01  0.122258D+02
               186           187           188           189           190 
      1  -0.664308D+01  0.214305D+00 -0.668455D+01 -0.317763D+01  0.638900D+02
      2   0.591725D+01  0.119796D+01  0.502002D+01  0.229255D+01 -0.267084D+02
      3   0.725830D+00 -0.141227D+01  0.166453D+01  0.885082D+00 -0.371816D+02
      4  -0.441892D+01 -0.202684D+01 -0.231733D+01 -0.370773D+01 -0.374791D+02
      5  -0.526359D+01  0.338864D+01 -0.378749D+01 -0.467810D+01  0.149298D+02
      6   0.895946D+01  0.489984D+00  0.798047D+01  0.423614D+01 -0.678840D+01
               191           192           193           194           195 
      1  -0.179448D+02  0.150967D+02 -0.107809D+02  0.478533D+01 -0.385862D+01
      2   0.358165D+01 -0.528231D+01  0.534263D+00  0.409190D+01  0.315240D+00
      3   0.143631D+02 -0.981438D+01  0.102466D+02 -0.887723D+01  0.354338D+01
      4   0.218214D+02 -0.965061D+01  0.176648D+02 -0.147954D+02  0.610263D+01
      5  -0.551492D+01  0.161723D+02 -0.430151D+01  0.445265D+01 -0.218480D+01
      6   0.347996D+01 -0.700769D+01  0.330058D+01 -0.154255D+01  0.322798D+01
               196           197           198           199           200 
      1   0.300144D+02 -0.887096D+01  0.130215D+02  0.523756D+00  0.310568D+00
      2  -0.114436D+02  0.587927D+00 -0.820318D+01 -0.100250D+01  0.890446D-01
      3  -0.185708D+02  0.828304D+01 -0.481831D+01  0.478747D+00 -0.399612D+00
      4  -0.213402D+02  0.159715D+02 -0.891830D+01  0.906648D+00  0.236843D+01
      5   0.185385D+02 -0.603529D+01  0.132209D+02  0.232168D+00  0.143597D+01
      6  -0.790180D+01  0.421226D+01 -0.653636D+01  0.227489D+01  0.463920D+00
               201           202           203           204           205 
      1   0.534630D+00  0.549779D+01 -0.171057D+02 -0.776974D+01  0.182152D+01
      2  -0.470117D+00 -0.329433D+01  0.159492D+02  0.313137D+01 -0.329632D+01
      3  -0.645129D-01 -0.220346D+01  0.115650D+01  0.463837D+01  0.147481D+01
      4   0.996491D+00  0.239307D+01  0.498587D+01  0.179695D+01  0.178593D+01
      5   0.159364D+01  0.123813D+01  0.256242D+01  0.240630D+01  0.186179D+01
      6   0.809431D+00 -0.583790D+00  0.112536D+02  0.746960D+01  0.196107D+01
               206           207           208           209           210 
      1  -0.521356D+01 -0.278538D+01  0.174332D+01 -0.395509D+01 -0.157698D+01
      2   0.233088D+01  0.126131D+01  0.878424D+00  0.234880D+01  0.706099D+00
      3   0.288268D+01  0.152408D+01 -0.262175D+01  0.160628D+01  0.870881D+00
      4   0.625981D+00  0.132225D+01 -0.317201D+01  0.354340D+01  0.128541D+01
      5   0.205016D+01  0.115525D+01 -0.210060D+01  0.954803D+00  0.561881D+00
      6   0.529819D+01  0.420849D+01  0.701411D+00 -0.949054D+00 -0.552538D-01
               211           212           213           214           215 
      1  -0.444546D+01 -0.145394D+02 -0.196916D+01 -0.320150D+01 -0.235097D+01
      2   0.106311D+01  0.208290D+02  0.238520D+01 -0.199510D+00  0.364672D+01
      3   0.338235D+01 -0.628967D+01 -0.416047D+00  0.340101D+01 -0.129574D+01
      4   0.646647D+01 -0.172869D+02 -0.314956D+01  0.372719D+01 -0.450696D+01
      5   0.172713D+01 -0.232017D+01 -0.271142D+01 -0.188846D+01 -0.165782D+01
      6  -0.116707D+01  0.105321D+01  0.430208D+01  0.191164D+01  0.254686D+01
               216           217           218           219           220 
      1  -0.295223D+01  0.156709D+02 -0.602370D+01  0.590374D+01 -0.205151D+02
      2   0.224878D+01 -0.539990D+01  0.109439D+01 -0.229607D+01  0.512802D+01
      3   0.703447D+00 -0.102710D+02  0.492931D+01 -0.360768D+01  0.153871D+02
      4  -0.228895D+01 -0.739629D+01  0.998758D+01 -0.632617D+01  0.298468D+02
      5  -0.116121D+01  0.663217D+01 -0.564516D+01  0.407317D+01 -0.527896D+01
      6   0.163573D+01 -0.288312D+01  0.867753D+00 -0.512314D+00  0.293231D+01
               221           222           223           224           225 
      1   0.850342D+01 -0.536929D+00  0.195316D+02 -0.618781D+01  0.127990D+01
      2   0.104879D+02 -0.461057D+01 -0.730992D+01 -0.352931D+01 -0.224783D+00
      3  -0.189913D+02  0.514750D+01 -0.122217D+02  0.971712D+01 -0.105512D+01
      4  -0.509845D+02  0.144204D+02 -0.172063D+02  0.261346D+02 -0.185951D+02
      5   0.156843D+02 -0.195531D+02  0.124197D+02 -0.199496D+02  0.166218D+02
      6  -0.687452D+01  0.742586D+01 -0.449775D+01  0.914725D+01 -0.656153D+01
               226           227           228           229           230 
      1   0.583071D+00 -0.594835D+00 -0.846470D+01 -0.731288D+01 -0.734438D+00
      2  -0.123692D+01 -0.264526D-01  0.205130D+01  0.341262D+01  0.166134D+01
      3   0.653850D+00  0.621287D+00  0.641339D+01  0.390026D+01 -0.926902D+00
      4   0.320235D+01 -0.190392D+01 -0.232121D+01  0.120382D+02 -0.195609D+02
      5  -0.194499D+01 -0.300772D+01 -0.323778D+01  0.305666D+01 -0.115809D+02
      6   0.168258D+01  0.233356D+01  0.226562D+01 -0.149526D+01  0.727796D+01
               231           232           233           234           235 
      1  -0.556257D+01 -0.190886D+02 -0.576634D+01 -0.119963D+02  0.971842D+02
      2   0.134673D+01  0.127671D+02  0.811689D-02 -0.912059D+01 -0.520387D+02
      3   0.421583D+01  0.632154D+01  0.575822D+01  0.211168D+02 -0.451455D+02
      4  -0.117493D+02  0.708953D+01 -0.156641D+02 -0.198844D+02  0.148758D+02
      5  -0.175258D+02  0.159532D+02 -0.214745D+02 -0.507500D+02 -0.120466D+02
      6   0.101563D+02 -0.375150D+01  0.120756D+02  0.165651D+02 -0.256104D+01
               236           237           238           239           240 
      1   0.192479D+02 -0.676947D+01  0.456209D+02  0.161671D+02 -0.471223D+01
      2  -0.115622D+02  0.507346D+01 -0.247395D+02 -0.730834D+01  0.286204D+01
      3  -0.768571D+01  0.169601D+01 -0.208814D+02 -0.885880D+01  0.185019D+01
      4   0.161454D+02 -0.240888D+01  0.191578D+02  0.141674D+02 -0.101674D+01
      5  -0.346233D+01  0.144765D+02 -0.737162D+01 -0.158311D+01  0.722263D+01
      6  -0.168046D+01 -0.993429D-01 -0.246286D+01 -0.235997D+01  0.199960D+01
               241           242           243 
      1  -0.240261D+01 -0.214023D+01  0.863806D+01
      2   0.268512D+01  0.776115D+00 -0.624205D+01
      3  -0.282516D+00  0.136411D+01 -0.239601D+01
      4  -0.189991D+01  0.646679D+00  0.984283D+00
      5   0.139050D+02  0.145746D+01 -0.534749D+01
      6   0.436361D+00  0.252955D+01  0.402552D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.753203D+00      0.191445D+01      0.638592D+01
   y          0.976112D+00      0.248103D+01      0.827583D+01
   z          0.178418D+00      0.453492D+00      0.151269D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.157753D+03      0.233766D+02      0.260100D+02
   yx        -0.327875D+01     -0.485861D+00     -0.540593D+00
   yy         0.114652D+03      0.169897D+02      0.189036D+02
   zx        -0.516232D+01     -0.764976D+00     -0.851151D+00
   zy         0.228517D+01      0.338627D+00      0.376773D+00
   zz         0.973254D+02      0.144221D+02      0.160468D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.131103D+03      0.194274D+02      0.216159D+02
   aniso      0.598977D+02      0.887592D+01      0.987580D+01
   xx         0.168875D+03      0.250247D+02      0.278438D+02
   yx        -0.336543D+01     -0.498705D+00     -0.554884D+00
   yy         0.120975D+03      0.179267D+02      0.199461D+02
   zx        -0.569112D+01     -0.843337D+00     -0.938339D+00
   zy         0.232457D+01      0.344466D+00      0.383270D+00
   zz         0.103457D+03      0.153308D+02      0.170578D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.84350102         -4.11458160          1.11749627
     6          2.71549977         -2.09377643          1.96139727
     6          1.80939708          0.66985641          1.27982759
     6          0.29059178          1.05229429         -1.03462875
     6         -2.10477951          1.82814416         -1.15084451
     6         -3.44321037          2.11089180         -3.59966085
     8         -2.45468518          1.62065308         -5.61369948
     6          5.38602942         -2.76339846          1.15736277
     6          2.32147388         -1.36270363          4.78012289
     6          0.65938131          0.89181585          3.94881994
     6         -6.13810695          3.04871696         -3.44770045
     1          4.08098051         -0.74157458          5.65623075
     1          1.44784775         -2.78821811          5.98401243
     1          3.50522779          1.84928067          1.14766810
     1         -1.34368010          0.41530459          3.97294713
     1          0.91773251          2.68099268          4.93192395
     1          0.87888355         -4.36234917         -0.93042501
     1         -1.09024428         -3.64229132          1.65438282
     1          1.32059464         -5.92472620          1.98824646
     1          6.73472472         -1.33132072          1.78023032
     1          5.52555110         -2.92249386         -0.89758934
     1          5.96397377         -4.57524878          1.96433571
     1          1.21749486          0.64155198         -2.82249600
     1         -3.14697583          2.28601847          0.55249684
     1         -6.19568552          4.89289195         -2.51772021
     1         -7.27218713          1.76103447         -2.29642332
     1         -6.94542124          3.19235938         -5.33138021

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124577D+01      0.316643D+01      0.105621D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124577D+01      0.316643D+01      0.105621D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.123244D+03      0.182628D+02      0.203201D+02
   aniso      0.550687D+02      0.816033D+01      0.907960D+01
   xx         0.135502D+03      0.200794D+02      0.223413D+02
   yx        -0.203930D+02     -0.302193D+01     -0.336235D+01
   yy         0.107664D+03      0.159541D+02      0.177513D+02
   zx         0.184667D+02      0.273648D+01      0.304475D+01
   zy        -0.720680D+01     -0.106794D+01     -0.118824D+01
   zz         0.126565D+03      0.187550D+02      0.208677D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.131103D+03      0.194274D+02      0.216159D+02
   aniso      0.598977D+02      0.887592D+01      0.987580D+01
   xx         0.144480D+03      0.214097D+02      0.238215D+02
   yx        -0.217273D+02     -0.321965D+01     -0.358235D+01
   yy         0.114355D+03      0.169456D+02      0.188546D+02
   zx         0.205534D+02      0.304570D+01      0.338880D+01
   zy        -0.812363D+01     -0.120380D+01     -0.133941D+01
   zz         0.134473D+03      0.199269D+02      0.221717D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U25-33\Freq\RLC-PBEPBE\Gen\C10H16O1\PIERPA\16-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
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 ARTHROPOD AXIOM: A COMPUTER SYSTEM IS LIKE A SPIDER'S WEB.
 YOU CANNOT PULL ON ONE END WITHOUT MAKING THE OTHER END MOVE.
     -- GREG WETTSTEIN
 Job cpu time:       0 days  9 hours 25 minutes 37.1 seconds.
 Elapsed time:       0 days  1 hours 10 minutes 54.6 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 22:33:02 2021.
